SCHEMBL1300271

SCHEMBL1300271

COc1nc(Cl)c(C(=O)O)cc1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.47
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 1/20 0.46
LCK P06239 1/20 0.46
FYN P06241 1/20 0.46
POLB P06746 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
KDM4E B2RXH2 5/20 0.40
ALDH1A1 P00352 4/20 0.40
HPGD P15428 3/20 0.40
GPR35 Q9HC97 1/20 0.38
PRKAG1 P54619 2/20 0.37
PRKAA1 Q13131 2/20 0.37
PRKAB1 Q9Y478 2/20 0.37
TSHR P16473 1/20 0.36
TPMT P51580 1/20 0.36
PRKAB2 O43741 1/20 0.35
PRKAA2 P54646 1/20 0.35
PRKAG3 Q9UGI9 1/20 0.35
PRKAG2 Q9UGJ0 1/20 0.35

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
SCHEMBL14931958 0.84 HSD17B10 (0.51) HSD17B10LCKFYNPOLBTDP1
SCHEMBL26625432 0.81 KEAP1 (0.47) HSD17B10KEAP1NFE2L2LCKFYN
SCHEMBL24291812 0.80 HSD17B10 (0.47) HSD17B10LCKFYNPOLBTDP1
SCHEMBL29656639 0.80 HSD17B10 (0.47) HSD17B10LCKFYNPOLBTDP1
SCHEMBL2768497 0.80 KEAP1 (0.64) HSD17B10KEAP1NFE2L2LCKFYN
SCHEMBL30827313 0.78 KEAP1 (0.60) HSD17B10KEAP1NFE2L2LCKFYN
SCHEMBL28304423 0.78 KEAP1 (0.60) HSD17B10KEAP1NFE2L2LCKFYN
SCHEMBL3450933 0.77 KEAP1 (0.50) HSD17B10KEAP1NFE2L2LCKFYN
SCHEMBL23779674 0.75 HSD17B10 (0.40) HSD17B10LCKFYNPOLBTDP1
SCHEMBL29657217 0.75 POLB (0.49) HSD17B10KEAP1NFE2L2LCKFYN

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240043420-A1 7-AZAINDOLE COMPOUNDS FOR INHIBITION OF BCR-ABL TYROSINE KINASES ENLIVEN INC. 2024-02-08 US disclosed
EP-4225741-A1 7-AZAINDOLE COMPOUNDS FOR INHIBITION OF BCR-ABL TYROSINE KINASES Enliven Therapeutics, Inc. (US) 2023-08-16 EP disclosed
CN-116438182-A 7-azaindole compounds for inhibiting BCR-ABL tyrosine kinase 活力疗法公司 2023-07-14 CN disclosed
WO-2022076973-A1 7-AZAINDOLE COMPOUNDS FOR INHIBITION OF BCR-ABL TYROSINE KINASES ENLIVEN THERAPEUTICS, INC. (US) 2022-04-14 WO disclosed
US-20110269741-A1 NOVEL COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES, INC. (US) 2011-11-03 US disclosed
US-20110269741-A1 NOVEL COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES, INC. (US) 2011-11-03 US disclosed
US-20110269741-A1 NOVEL COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES, INC. (US) 2011-11-03 US disclosed
US-20110166123-A1 NOVEL COMPOSITIONS AND METHODS OF USE AARDEA BIOSCIENCES, INC. (US) 2011-07-07 US disclosed
US-20110166123-A1 NOVEL COMPOSITIONS AND METHODS OF USE AARDEA BIOSCIENCES, INC. (US) 2011-07-07 US disclosed
US-20110166123-A1 NOVEL COMPOSITIONS AND METHODS OF USE AARDEA BIOSCIENCES, INC. (US) 2011-07-07 US disclosed
EP-2231665-A2 NOVEL COMPOSITIONS AND METHODS OF USE Ardea Biosciences, Inc. (US) 2010-09-29 EP disclosed
WO-2009089263-A2 NOVEL COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES INC. (US) 2009-07-16 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 (3 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-20110166123-A1 NOVEL COMPOSITIONS AND METHODS OF USE TYMP, SAMHD1, PNP HSD17B10 617/4885KEAP1 3810/4885NFE2L2 4628/4885
US-20240043420-A1 7-AZAINDOLE COMPOUNDS FOR INHIBITION OF BCR-ABL TYROSINE KINASES ABL1, ABL2, BCR HSD17B10 4391/4885KEAP1 971/4885NFE2L2 1642/4885
US-20110269741-A1 NOVEL COMPOSITIONS AND METHODS OF USE TYMP, SAMHD1, PNP HSD17B10 617/4885KEAP1 3810/4885NFE2L2 4628/4885

“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.