SCHEMBL54820

SCHEMBL54820

Cc1nnn(-c2ccccc2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 3/20 0.50
KDM4E B2RXH2 4/20 0.46
HPGD P15428 2/20 0.46
NPC1 O15118 9/20 0.46
RAB9A P51151 8/20 0.46
MAPT P10636 5/20 0.45
PKM P14618 2/20 0.45
ADORA1 P30542 2/20 0.42
LMNA P02545 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA2B P29275 1/20 0.41
KAT2B Q92831 1/20 0.41
ABCB1 P08183 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NFKB1 P19838 1/20 0.38
CASP3 P42574 1/20 0.38

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
SCHEMBL8212317 0.88 NPC1 (0.51) ABCG2KDM4ENPC1RAB9AMAPT
SCHEMBL13183599 0.83 NPC1 (0.51) ABCG2KDM4EHPGDNPC1RAB9A
SCHEMBL15597058 0.81 NPC1 (0.39) ABCG2KDM4ENPC1RAB9AMAPT
SCHEMBL8212269 0.79 KDM4E (0.49) ABCG2KDM4ENPC1RAB9AMAPT
SCHEMBL720834 0.79 NPC1 (0.43) KDM4EHPGDNPC1RAB9AMAPT
SCHEMBL18755000 0.79 NPC1 (0.54) KDM4ENPC1RAB9AMAPTPKM
SCHEMBL15597193 0.79 CHRNB2 (0.61) ABCG2NPC1RAB9AMAPTL3MBTL1
SCHEMBL3059728 0.77 GRM5 (0.38) ABCG2PKM
SCHEMBL29431780 0.77 SMN1; SMN2 (0.45) MEN1KMT2A
SCHEMBL21876425 0.77 MAPT (0.49) ABCG2KDM4EHPGDNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1261588-C Method of colorimetry and reagent for use therein ARKRAY INC (JP) 2006-06-28 CN claimed
CN-1522302-A Colorimetric method and reagent used therefor ������������ʽ���� 2004-08-18 CN claimed
WO-2022256419-A1 DUAL WNT SIGNALING PATHWAY INHIBITORS AND AMPK ACTIVATORS FOR TREATMENTS OF DISEASE UNIVERSITY OF MARYLAND, BALTIMORE (US) 2022-12-08 WO disclosed
WO-2022232195-A2 COVALENT APTAMERS UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2022-11-03 WO disclosed
US-10662180-B2 Proteasome chymotrypsin-like inhibition using PI-1833 analogs H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2020-05-26 US disclosed
US-10407408-B2 Imide derivatives and use thereof as medicine MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-09-10 US disclosed
US-20190085208-A1 POLISHING COMPOSITION, METHOD FOR PRODUCING SAME, POLISHING METHOD, AND METHOD FOR PRODUCING SUBSTRATE FUJIMI INCORPORATED (JP) 2019-03-21 US disclosed
US-20190077787-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-03-14 US disclosed
US-20180215742-A1 PROTEASOME CHYMOTRYPSIN-LIKE INHIBITION USING PI-1833 ANALOGS H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2018-08-02 US disclosed
US-20180215742-A1 PROTEASOME CHYMOTRYPSIN-LIKE INHIBITION USING PI-1833 ANALOGS H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2018-08-02 US disclosed
US-9878999-B2 Proteasome chymotrypsin-like inhibition using PI-1833 analogs H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2018-01-30 US disclosed
US-20080312329-A1 Nonpeptide Inhibitors of Matrix Metalloproteinases SOUTHERN RESEARCH INSTITUTE (US) 2008-12-18 US disclosed
US-20080312329-A1 Nonpeptide Inhibitors of Matrix Metalloproteinases SOUTHERN RESEARCH INSTITUTE (US) 2008-12-18 US disclosed
US-20080312223-A1 Thiazole And Isothiazole Derivatives That Modulate The Activity Of CDK, GSK And Aurora Kinases ASTEX THERAPEUTICS LIMITED (GB) 2008-12-18 US disclosed
EP-1859782-A1 Composition for coloring and/or lightening human hair comprising tetrazoles Henkel Kommanditgesellschaft auf Aktien (DE) 2007-11-28 EP disclosed
US-20070135477-A1 Benzimidazole derivatives and their use as protein kinases inhibitors ASTEX THERAPEUCTICS, LIMITED (US) 2007-06-14 US disclosed
US-20070135477-A1 Benzimidazole derivatives and their use as protein kinases inhibitors ASTEX THERAPEUCTICS, LIMITED (US) 2007-06-14 US disclosed
WO-2006070192-A1 THIAZOLE AND ISOTHIAZOLE DERIVATIVES THAT MODULATE THE ACIVITY OF CDK, GSK AND AURORA KYNASES ASTEX THERAPEUTICS LIMITED (GB) 2006-07-06 WO disclosed
WO-2005092844-A1 NONPEPTIDE INHIBITORS OF MATRIX METALLOPROTEINASES SOUTHERN RESEARCH INSTITUTE (US) 2005-10-06 WO disclosed
WO-2005002552-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2005-01-13 WO 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 (7 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-10662180-B2 Proteasome chymotrypsin-like inhibition using PI-1833 analogs PSMB3, PSME3, PSMD3 ABCG2 1055/4885KDM4E 2332/4885HPGD 3647/4885
US-20080312329-A1 Nonpeptide Inhibitors of Matrix Metalloproteinases MMP1, MMP3, MMP10 ABCG2 2623/4885KDM4E 2674/4885HPGD 80/4885
US-20190077787-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE MMP9, MMP10, MMP1 ABCG2 2170/4885KDM4E 725/4885HPGD 74/4885
US-20180215742-A1 PROTEASOME CHYMOTRYPSIN-LIKE INHIBITION USING PI-1833 ANALOGS PSMB3, PSME3, PSMD3 ABCG2 1055/4885KDM4E 2332/4885HPGD 3647/4885
US-20080312223-A1 Thiazole And Isothiazole Derivatives That Modulate The Activity Of CDK, GSK And Aurora Kinases CDK1, CDK8, CDK2 ABCG2 2379/4885KDM4E 737/4885HPGD 3311/4885
US-20070135477-A1 Benzimidazole derivatives and their use as protein kinases inhibitors CDK1, AURKA, CDK2 ABCG2 2257/4885KDM4E 828/4885HPGD 2897/4885
US-10407408-B2 Imide derivatives and use thereof as medicine MMP9, MMP2, MMP1 ABCG2 2486/4885KDM4E 723/4885HPGD 75/4885

“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.