SCHEMBL630904

SCHEMBL630904

[c]1[nH]ccc1-c1ccco1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
MAPT P10636 5/20 0.40
KMT2A Q03164 4/20 0.40
POLB P06746 4/20 0.40
KDM4E B2RXH2 4/20 0.40
TDP1 Q9NUW8 4/20 0.40
MEN1 O00255 3/20 0.40
HPGD P15428 3/20 0.40
BLM P54132 3/20 0.40
HSD17B10 Q99714 3/20 0.40
PKM P14618 2/20 0.40
ALOX15 P16050 2/20 0.40
CASP1 P29466 2/20 0.40
PTPN7 P35236 2/20 0.40
RECQL P46063 2/20 0.40
CASP7 P55210 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
THRB P10828 1/20 0.40

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
SCHEMBL1799678 0.68 ALDH1A1 (0.63) ALDH1A1MAPTKMT2APOLBKDM4E
SCHEMBL297554 0.65 ALDH1A1 (0.43) ALDH1A1MAPTKMT2APOLBKDM4E
SCHEMBL22640 0.65 ALDH1A1 (0.43) ALDH1A1MAPTKMT2APOLBKDM4E
SCHEMBL978864 0.64 ALDH1A1 (0.42) ALDH1A1MAPTKMT2APOLBKDM4E
SCHEMBL25757 0.64
SCHEMBL549043 0.62 ALDH1A1 (0.40) ALDH1A1MAPTKMT2APOLBKDM4E
SCHEMBL15987379 0.61 ALDH1A1 (0.39) ALDH1A1MAPTKMT2APOLBKDM4E
SCHEMBL8183045 0.61 ALDH1A1 (0.43) ALDH1A1MAPTKMT2APOLBKDM4E
SCHEMBL15987586 0.61 ALDH1A1 (0.39) ALDH1A1MAPTKMT2APOLBKDM4E
SCHEMBL4947004 0.61 KDM4E (0.39) ALDH1A1MAPTKMT2APOLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170079954-A1 PHARMACEUTICALLY ACCEPTABLE SALTS OF 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS AXIKIN PHARMACEUTICALS, INC. 2017-03-23 US claimed
US-9540351-B2 Pharmaceutically acceptable salts of 3,5-diaminopyrazole kinase inhibitors AXIKIN PHARMACEUTICALS, INC. (US) 2017-01-10 US claimed
EP-3046918-A1 PHARMACEUTICALLY ACCEPTABLE SALTS OF 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS Axikin Pharmaceuticals, Inc. (US) 2016-07-27 EP claimed
US-9382237-B2 3,5-diaminopyrazole kinase inhibitors AXIKIN PHARMACEUTICALS, INC. (US) 2016-07-05 US claimed
US-9365556-B2 3,5-diaminopyrazole kinase inhibitors AXIKIN PHARMACEUTICALS, INC. (US) 2016-06-14 US claimed
US-9346792-B2 3,5-diaminopyrazole kinase inhibitors AXIKIN PHARMACEUTICALS, INC. (US) 2016-05-24 US claimed
US-20150105389-A1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS AXIKIN PHARMACEUTICALS, INC. 2015-04-16 US claimed
EP-2852586-A1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS Axikin Pharmaceuticals, Inc. (US) 2015-04-01 EP claimed
WO-2015042111-A1 PHARMACEUTICALLY ACCEPTABLE SALTS OF 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS AXIKIN PHARMACEUTICALS, INC. (US) 2015-03-26 WO claimed
US-20150080398-A1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS AXIKIN PHARMACEUTICALS, INC. 2015-03-19 US claimed
WO-2013138617-A1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS AXIKIN PHARMACEUTICALS, INC. (US) 2013-09-19 WO claimed
EP-2207540-A1 CYCLOPROPYL ARYL AMIDE DERIVATIVES AND USES THEREOF F. Hoffmann-Roche AG (CH) 2010-07-21 EP claimed
US-20100048543-A1 PYRIMIDINE COMPOUNDS HAVING TIES (TEK) INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2010-02-25 US claimed
US-20090239924-A1 1H-FURO[3,2-C]PYRAZOLE COMPOUNDS USEFUL AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2009-09-24 US claimed
WO-2009043784-A1 CYCLOPROPYL ARYL AMIDE DERIVATIVES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2009-04-09 WO claimed
US-20040002524-A1 Benzimidazole compounds and their use as estrogen agonists/antagonists CHESWORTH RICHARD (US) 2004-01-01 US claimed
US-6624188-B1 Administered to treat or prevent one or more of the diseases and conditions selected from the group consisting of dermatoses, atherosclerosis and restenosis resulting from neointimal hyperproliferation, non-malignant and ALLERGAN, INC. 2003-09-23 US claimed
US-6476031-B1 Quinazoline derivatives as medicaments SCIOS, INC. 2002-11-05 US claimed
WO-1993025530-A3 VINYL ARENAS HAVING RETINOID-LIKE ACTIVITY ALLERGAN INC (US) 1994-03-17 WO claimed
US-4772693-A 2-oxo-1-((Substituted sulfonyl)amino)-carbonyl)azetidines E. R. SQUIBB & SONS, INC. (US) 1988-09-20 US claimed

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

For each of this compound's patents that has machine-readable text (6 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-20090239924-A1 1H-FURO[3,2-C]PYRAZOLE COMPOUNDS USEFUL AS KINASE INHIBITORS IGF1R, CDK1, CDK15 ALDH1A1 2682/4885MAPT 365/4885KMT2A 2181/4885
US-20170079954-A1 PHARMACEUTICALLY ACCEPTABLE SALTS OF 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS GRK3, DMPK, PRKAG3 ALDH1A1 1676/4885MAPT 2368/4885KMT2A 3524/4885
US-20150080398-A1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS MAP3K13, MAP3K3, MAP3K1 ALDH1A1 2629/4885MAPT 2122/4885KMT2A 2811/4885
US-20100048543-A1 PYRIMIDINE COMPOUNDS HAVING TIES (TEK) INHIBITORY ACTIVITY TEK, TYMP, TIE1 ALDH1A1 2198/4885MAPT 1426/4885KMT2A 815/4885
US-20150105389-A1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS MAP3K13, MAP3K3, MAP3K1 ALDH1A1 2629/4885MAPT 2122/4885KMT2A 2811/4885
US-20040002524-A1 Benzimidazole compounds and their use as estrogen agonists/antagonists ESR1, GPER1, ESR2 ALDH1A1 581/4885MAPT 4041/4885KMT2A 1738/4885

“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.