SCHEMBL12688

SCHEMBL12688

Cc1cccc(-c2cnn(C)c2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEK Q02763 1/20 0.58
PFKFB3 Q16875 2/20 0.55
DYRK1A Q13627 2/20 0.48
CLK1 P49759 1/20 0.47
CLK2 P49760 1/20 0.47
HIPK1 Q86Z02 1/20 0.47
DYRK2 Q92630 1/20 0.47
HIPK2 Q9H2X6 1/20 0.47
HIPK3 Q9H422 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
DYRK1B Q9Y463 1/20 0.47
FYN P06241 1/20 0.46
IRAK4 Q9NWZ3 4/20 0.46
IRAK1 P51617 3/20 0.46
AXL P30530 2/20 0.46
MET P08581 1/20 0.45
METAP2 P50579 1/20 0.44
LRRK2 Q5S007 1/20 0.44
PIK3CD O00329 1/20 0.44
PIK3CA P42336 1/20 0.44

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
Ammonia Solution, Strong SCHEMBL28862497 0.98 TEK (0.56) TEKPFKFB3DYRK1ACLK1CLK2
SCHEMBL19259764 0.81 DYRK1A (0.48) DYRK1ACLK1CLK2HIPK1DYRK2
SCHEMBL17809818 0.80 ERN1 (0.45) TEKDYRK1AAXLMETAP2LRRK2
SCHEMBL19662770 0.80 DYRK1A (0.47) DYRK1ACLK1CLK2HIPK1DYRK2
SCHEMBL22445210 0.80 FYN (0.60) PFKFB3DYRK1ACLK1CLK2HIPK1
SCHEMBL24289812 0.80 KMT2A (0.44) TEKPFKFB3METAP2
SCHEMBL29971615 0.80 KCNH2 (0.58) DYRK1ACLK1CLK2HIPK1DYRK2
SCHEMBL30269944 0.80 AURKB (0.54) DYRK1ACLK1CLK2HIPK1DYRK2
SCHEMBL8376983 0.80 KCNH2 (0.58) DYRK1ACLK1CLK2HIPK1DYRK2
SCHEMBL29431731 0.80 FYN (0.60) PFKFB3DYRK1ACLK1CLK2HIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4580621-A2 T-TYPE VOLTAGE-GATED CALCIUM CHANNEL POTENTIATORS The Broad Institute, Inc. (US) 2025-07-09 EP disclosed
WO-2024050312-A2 T-TYPE VOLTAGE-GATED CALCIUM CHANNEL POTENTIATORS THE BROAD INSTITUTE, INC. (US) 2024-03-07 WO disclosed
US-11767297-B2 Compounds for inhibiting TNIK and medical uses thereof KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2023-09-26 US disclosed
WO-2023107552-A2 PURINES AND METHODS OF THEIR USE Kineta, Inc. (US) 2023-06-15 WO disclosed
WO-2023069884-A1 KDM1A INHIBITORS FOR THE TREATMENT OF DISEASE IMAGO BIOSCIENCES, INC. (US) 2023-04-27 WO disclosed
WO-2022034587-A1 Traf2- AND Nck-INTERACTING KINASE (TNIK) INHIBITORS AND USES THEREOF TNIK THERAPEUTICS LTD (IL) 2022-02-17 WO disclosed
EP-3464286-B1 PYRAZOLOPYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER GENENTECH INC (US) 2021-08-18 EP disclosed
US-11091488-B2 1-cyano-pyrrolidine derivatives as inhibitors of USP30 MISSION THERAPEUTICS LIMITED (GB) 2021-08-17 US disclosed
US-20210047277-A1 COMPOUNDS FOR INHIBITING TNIK AND MEDICAL USES THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2021-02-18 US disclosed
WO-2020065614-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 WO disclosed
US-20130281433-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2013-10-24 US disclosed
US-20130281434-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-10-24 US disclosed
US-20130203747-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION GILEAD SCIENCES, INC. (US) 2013-08-08 US disclosed
US-20130096144-A1 ISOINDOLINONE AND PYRROLOPYRIDINONE DERIVATIVES AS AKT INHIBITORS INCYTE CORPORATION (US) 2013-04-18 US disclosed
US-8338441-B2 Inhibitors of human immunodeficiency virus replication GILEAD SCIENCES, INC. (US) 2012-12-25 US disclosed
US-8338441-B2 Inhibitors of human immunodeficiency virus replication GILEAD SCIENCES, INC. (US) 2012-12-25 US disclosed
WO-2011058149-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO S.A. (CH) 2011-05-19 WO 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

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

For each of this compound's patents that has machine-readable text (8 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-11091488-B2 1-cyano-pyrrolidine derivatives as inhibitors of USP30 USP30, USP1, USP20 TEK 4268/4885PFKFB3 4673/4885DYRK1A 3553/4885
US-20130096144-A1 ISOINDOLINONE AND PYRROLOPYRIDINONE DERIVATIVES AS AKT INHIBITORS MTOR, PDPK1, PIK3CA TEK 1795/4885PFKFB3 479/4885DYRK1A 940/4885
US-11767297-B2 Compounds for inhibiting TNIK and medical uses thereof TNNI3K, TNK1, TNIK TEK 2247/4885PFKFB3 1169/4885DYRK1A 1035/4885
US-20210047277-A1 COMPOUNDS FOR INHIBITING TNIK AND MEDICAL USES THEREOF TNNI3K, TNK1, TNIK TEK 2247/4885PFKFB3 1169/4885DYRK1A 1035/4885
US-20100292227-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION RTF2, REV1, RTF1 TEK 2734/4885PFKFB3 1851/4885DYRK1A 3664/4885
US-20130281434-A1 THERAPEUTIC COMPOUNDS NFATC1, FURIN, CD4 TEK 2093/4885PFKFB3 2343/4885DYRK1A 4880/4885
US-20130281433-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 TEK 3782/4885PFKFB3 2438/4885DYRK1A 4870/4885
US-20130203747-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION RTF2, REV1, RTF1 TEK 2734/4885PFKFB3 1851/4885DYRK1A 3664/4885

“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.