SCHEMBL3767625

SCHEMBL3767625

COc1ncc(-c2ccccc2)c(OC)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 1/20 0.54
▸ QPCTL Q9NXS2 1/20 0.54
▸ PTGES2 Q9H7Z7 1/20 0.49
▸ KMT2A Q03164 4/20 0.47
▸ SQOR Q9Y6N5 2/20 0.47
▸ ALDH1A1 P00352 4/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.47
▸ HPGD P15428 1/20 0.47
▸ FAAH O00519 1/20 0.46
▸ CES1 P23141 1/20 0.46
▸ MAPT P10636 3/20 0.46
▸ ATM Q13315 2/20 0.46
▸ TSHR P16473 1/20 0.46
▸ CASP1 P29466 1/20 0.44
▸ CYP1A2 P05177 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ HSD11B1 P28845 1/20 0.42
▸ MAPK1 P28482 1/20 0.42

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
SCHEMBL16104488 0.84 QPCT (0.56) QPCTQPCTLPTGES2KMT2AALDH1A1
SCHEMBL4743846 0.83 HSD11B1 (0.57) QPCTQPCTLKMT2ASQORALDH1A1
SCHEMBL29809511 0.83 HSD11B1 (0.57) QPCTQPCTLKMT2ASQORALDH1A1
SCHEMBL2034545 0.83 QPCT (0.51) QPCTQPCTLPTGES2KMT2ASQOR
SCHEMBL7264367 0.82 QPCT (0.48) QPCTQPCTLPTGES2KMT2ASQOR
SCHEMBL16675754 0.82 QPCT (0.51) QPCTQPCTLPTGES2KMT2AALDH1A1
SCHEMBL2039576 0.81 MAP4K4 (0.53) QPCTQPCTLFAAHCES1PPARD
SCHEMBL978966 0.81 QPCT (0.53) QPCTQPCTLPTGES2KMT2AALDH1A1
SCHEMBL13191838 0.81 NPC1 (0.51) QPCTQPCTLPTGES2KMT2AALDH1A1
SCHEMBL8368468 0.81 SQOR (0.46) KMT2ASQORALDH1A1MEN1KDM4E

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-7842712-B2 Indazolinone compositions useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-11-30 — — US disclosed
US-7842712-B2 Indazolinone compositions useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-11-30 — — US disclosed
US-7842712-B2 Indazolinone compositions useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-11-30 — — US disclosed
US-20090048250-A1 INDAZOLINONE COMPOSITIONS USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2009-02-19 — — US disclosed
US-20090048250-A1 INDAZOLINONE COMPOSITIONS USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2009-02-19 — — US disclosed
US-20090048250-A1 INDAZOLINONE COMPOSITIONS USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2009-02-19 — — US disclosed
US-7262200-B2 Indazolinone compositions useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-08-28 — — US disclosed
US-7262200-B2 Indazolinone compositions useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-08-28 — — US disclosed
US-7262200-B2 Indazolinone compositions useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-08-28 — — US disclosed
WO-2004094461-A2 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MIMICS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-11-04 — — WO disclosed
US-20040167121-A1 Indazolinone compositions useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2004-08-26 — — US disclosed
WO-2004037814-A1 INDAZOLINONE COMPOSITIONS USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-05-06 — — 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 (2 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-20040167121-A1 Indazolinone compositions useful as kinase inhibitors LCK, CDK2, CILK1 QPCT 2620/4885QPCTL 3767/4885PTGES2 1302/4885
US-20090048250-A1 INDAZOLINONE COMPOSITIONS USEFUL AS KINASE INHIBITORS LCK, CDK2, MKNK2 QPCT 2524/4885QPCTL 3770/4885PTGES2 1192/4885

“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.

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