SCHEMBL6855459

SCHEMBL6855459

Cc1ccc(-c2ccnc(C)c2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.66
UHRF1 Q96T88 1/20 0.56
WNT3A P56704 3/20 0.51
MAP4K4 O95819 2/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
PSEN1 P49768 6/20 0.48
PSEN2 P49810 6/20 0.48
APH1B Q8WW43 6/20 0.48
NCSTN Q92542 6/20 0.48
APH1A Q96BI3 6/20 0.48
PSENEN Q9NZ42 6/20 0.48
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
FDPS P14324 1/20 0.46
CDC7 O00311 1/20 0.45
ROCK2 O75116 1/20 0.45
CDK2 P24941 1/20 0.45
GSK3B P49841 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17051611 0.92 DYRK1A (0.58) DYRK1AUHRF1WNT3AMAP4K4MEN1
SCHEMBL21524071 0.89 DYRK1A (0.54) DYRK1AUHRF1WNT3AMAP4K4MEN1
SCHEMBL1896511 0.88 DYRK1A (0.65) DYRK1AUHRF1WNT3AMAP4K4PSEN1
SCHEMBL30308690 0.88 DYRK1A (0.65) DYRK1AUHRF1WNT3AMAP4K4PSEN1
Iodide SCHEMBL9618570 0.85 DYRK1A (0.63) DYRK1AUHRF1WNT3AMAP4K4PSEN1
SCHEMBL14680822 0.84 DYRK1A (0.63) DYRK1AUHRF1WNT3AMAP4K4PSEN1
SCHEMBL31119862 0.84 DYRK1A (0.62) DYRK1AUHRF1WNT3AMAP4K4PSEN1
SCHEMBL8964255 0.84 DYRK1A (0.62) DYRK1AUHRF1WNT3AMAP4K4PSEN1
SCHEMBL27428225 0.83 DYRK1A (0.49) DYRK1AUHRF1WNT3AMAP4K4MEN1
SCHEMBL1492706 0.83 DYRK1A (0.61) DYRK1AUHRF1WNT3AMAP4K4PSEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 60 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11787798-B2 Aryl piperidines as monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-10-17 US disclosed
US-20230320203-A1 PLURALITY OF HOST MATERIALS, ORGANIC ELECTROLUMINESCENT COMPOUND, AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD. (KR) 2023-10-05 US disclosed
US-20230284470-A1 ORGANIC ELECTROLUMINESCENT DEVICE AND ORGANIC ELECTROLUMINESCENT COMPOUND DUPONT SPECIALTY MATERIALS KOREA LTD. (KR) 2023-09-07 US disclosed
US-11708328-B2 Organic electroluminescent compound and organic electroluminescent device comprising the same ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. 2023-07-25 US disclosed
US-20230192613-A1 Charged Ion Channel Blockers and Methods for Use NOCION THERAPEUTICS INC (US) 2023-06-22 US disclosed
US-20230157165-A1 ORGANIC ELECTROLUMINESCENT COMPOUND, A PLURALITY OF HOST MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2023-05-18 US disclosed
US-20220356193-A1 PLURALITY OF HOST MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2022-11-10 US disclosed
US-20220173330-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD. (KR) 2022-06-02 US disclosed
EP-3943490-A1 1-CYANO-PYRROLIDINE COMPOUNDS AS USP30 INHIBITORS Mission Therapeutics Limited (GB) 2022-01-26 EP disclosed
US-20210320263-A1 ORGANIC ELECTROLUMINESCENT COMPOUND, A PLURALITY OF HOST MATERIALS, AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD. (KR) 2021-10-14 US disclosed
US-8338441-B2 Inhibitors of human immunodeficiency virus replication GILEAD SCIENCES, INC. (US) 2012-12-25 US disclosed
US-20120211743-A1 BENZO[k]FLUORANTHENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE CONTAINING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-08-23 US disclosed
US-20120211743-A1 BENZO[k]FLUORANTHENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE CONTAINING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-08-23 US disclosed
US-20120165322-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-28 US disclosed
WO-2010130034-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-18 WO disclosed
US-20100292227-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2010-11-18 US disclosed
US-20100292227-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2010-11-18 US disclosed
US-6797828-B1 Processes for the preparation of 4(5)-amino-5(4)-carboxamidoimidazoles and intermediates thereof NIPPON SODA CO. LTD. (JP) 2004-09-28 US disclosed
EP-1215206-A1 PROCESSES FOR THE PREPARATION OF 4(5)-AMINO-5(4)-CARBOXAMIDOIMIDAZOLES AND INTERMEDIATES THEREOF NIPPON SODA CO., LTD. (JP) 2002-06-19 EP disclosed
US-6362009-B1 CAPTURING A SUBSTRATE ON SOLID SUPPORT AND ACTIVATINGSUBSTRATE TO REACT WITH REAGENT WITH WHICH UNACTIVATED SUBSTRATE DOES NOT REACT; REACTING ACTIVATED SUBSTRATE ON SOLID PHASE WITH REAGENT TO GIVE AN ADDITION PRODUCT MERCK & CO., INC. 2002-03-26 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20220356193-A1 PLURALITY OF HOST MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME PIEZO1, SOD1, NECTIN4 DYRK1A 2197/4885UHRF1 1668/4885WNT3A 2061/4885
US-20120211743-A1 BENZO[k]FLUORANTHENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE CONTAINING THE SAME KCNJ2, KCNE1, KCNK2 DYRK1A 2003/4885UHRF1 1733/4885WNT3A 2079/4885
US-11708328-B2 Organic electroluminescent compound and organic electroluminescent device comprising the same ELAVL1, TERT, VDAC2 DYRK1A 3066/4885UHRF1 2173/4885WNT3A 3884/4885
US-20230157165-A1 ORGANIC ELECTROLUMINESCENT COMPOUND, A PLURALITY OF HOST MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME L1CAM, MCM2, MAL2 DYRK1A 2559/4885UHRF1 3277/4885WNT3A 2156/4885
US-20100292227-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION RTF2, REV1, RTF1 DYRK1A 3664/4885UHRF1 391/4885WNT3A 4097/4885
US-11787798-B2 Aryl piperidines as monoacylglycerol lipase modulators MGLL, LPL, PNLIP DYRK1A 3032/4885UHRF1 3162/4885WNT3A 4008/4885
US-20230192613-A1 Charged Ion Channel Blockers and Methods for Use TRPV1, TRPV2, TRPV5 DYRK1A 4362/4885UHRF1 4805/4885WNT3A 3973/4885
US-20220173330-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME LEF1, ODC1, OR10J3 DYRK1A 4032/4885UHRF1 1854/4885WNT3A 1964/4885
US-20120165322-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, RHOA DYRK1A 698/4885UHRF1 3772/4885WNT3A 3976/4885
US-20230284470-A1 ORGANIC ELECTROLUMINESCENT DEVICE AND ORGANIC ELECTROLUMINESCENT COMPOUND OR10J3, ICOSLG, L1CAM DYRK1A 2086/4885UHRF1 2420/4885WNT3A 2692/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.