SCHEMBL645245

SCHEMBL645245

COc1ccccc1-c1nnc(NC(C)=O)[nH]1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 2/20 0.60
FGFR2 P21802 2/20 0.60
HSD17B10 Q99714 4/20 0.59
ALOX15 P16050 1/20 0.59
KDM4E B2RXH2 5/20 0.54
NPC1 O15118 3/20 0.54
ALDH1A1 P00352 3/20 0.54
RAB9A P51151 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
HPGD P15428 2/20 0.54
TP53 P04637 1/20 0.54
CYP1A2 P05177 1/20 0.54
AHR P35869 1/20 0.54
ADORA3 P0DMS8 3/20 0.49
HSP90AA1 P07900 1/20 0.49
HSP90AB1 P08238 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.47
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
MCL1 Q07820 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
SCHEMBL10171216 0.85 KDM4E (0.57) FGFR1FGFR2HSD17B10ALOX15KDM4E
SCHEMBL16675463 0.80 ADORA3 (0.47) FGFR1FGFR2KDM4ENPC1ALDH1A1
SCHEMBL12453606 0.77 POLB (0.53) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL14960337 0.76 FGFR1 (0.55) FGFR1FGFR2HSD17B10ALOX15KDM4E
SCHEMBL24195628 0.73 ALDH1A1 (0.49) HSD17B10KDM4ENPC1ALDH1A1RAB9A
SCHEMBL10217322 0.73 CNR2 (0.51) FGFR1FGFR2HSD17B10ALOX15KDM4E
SCHEMBL31741174 0.72 KDM4E (0.54) FGFR1FGFR2HSD17B10KDM4ENPC1
SCHEMBL416493 0.72 DCUN1D1 (0.54) FGFR1FGFR2HSD17B10KDM4EALDH1A1
SCHEMBL15330909 0.72 DCUN1D1 (0.46) FGFR1FGFR2HSD17B10ALOX15KDM4E
SCHEMBL4046314 0.71 ALDH1A1 (0.55) FGFR1FGFR2HSD17B10KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090156560-A1 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2009-06-18 US claimed
EP-2342200-B1 Compounds which selectively modulate the cb2 receptor BOEHRINGER INGELHEIM INT (DE) 2013-01-23 EP disclosed
US-20120095044-A1 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION Sanford-Burnham Medical Research Institute California 2012-04-19 US disclosed
US-20120095044-A1 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION Sanford-Burnham Medical Research Institute California 2012-04-19 US disclosed
EP-2433496-A1 Tissue non-specific alkaline phosphatase inhibitors and uses thereof for treating vascular calcification Burnham Institute for Medical Research (US) 2012-03-28 EP disclosed
US-8119693-B2 Tissue non-specific alkaline phosphatase inhibitors and uses thereof for treating vascular calcification SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2012-02-21 US disclosed
US-8119693-B2 Tissue non-specific alkaline phosphatase inhibitors and uses thereof for treating vascular calcification SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2012-02-21 US disclosed
US-8119693-B2 Tissue non-specific alkaline phosphatase inhibitors and uses thereof for treating vascular calcification SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2012-02-21 US disclosed
WO-2010036630-A2 COMPOUNDS WHICH SELECTIVELY MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 WO disclosed
US-20090156560-A1 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2009-06-18 US disclosed
US-20090156560-A1 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2009-06-18 US disclosed
US-20090156560-A1 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2009-06-18 US disclosed
WO-2009017863-A2 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-02-05 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-20120095044-A1 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION ALPL, CNDP2, ALPI FGFR1 2273/4885FGFR2 2759/4885HSD17B10 1896/4885
US-20090156560-A1 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION ALPL, CNDP2, ALPI FGFR1 2273/4885FGFR2 2759/4885HSD17B10 1896/4885

“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.