SCHEMBL643086

SCHEMBL643086

Oc1ccc2[nH][c]cc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.50
USP2 O75604 1/20 0.50
GAA P10253 1/20 0.50
RAD51 Q06609 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
FLT3 P36888 4/20 0.44
PDGFRB P09619 2/20 0.44
ABL1 P00519 2/20 0.44
BCR P11274 2/20 0.44
KIT P10721 1/20 0.44
SMAD3 P84022 1/20 0.42
CYP1A2 P05177 1/20 0.41
CA2 P00918 1/20 0.40
TYR P14679 1/20 0.40
LMNA P02545 2/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
ESR1 P03372 3/20 0.38
ESR2 Q92731 3/20 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
SCHEMBL6959510 0.84 TYR (0.48) ALOX15USP2GAARAD51NPSR1
SCHEMBL208359 0.71 CYP1A2 (0.48) ALOX15GAAFLT3PDGFRBCYP1A2
SCHEMBL207531 0.71 AHR (0.50) FLT3CYP1A2LMNATSHRHSD17B10
SCHEMBL207489 0.71 F7 (0.50) ALOX15GAANPSR1LMNAMEN1
SCHEMBL207737 0.71 CYP2A6 (0.50) FLT3PDGFRBABL1LMNAMEN1
SCHEMBL8665561 0.71 CA2 (0.38) CA2MEN1KMT2ATSHRHSD17B10
SCHEMBL9739171 0.70 SRC (0.40)
SCHEMBL1188 0.67
SCHEMBL8991542 0.67 TERT (0.42) ALOX15USP2GAACYP3A4TSHR
SCHEMBL9740964 0.67 NPC1 (0.55) GAAMEN1KMT2AESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8642604-B2 Substituted pyrazolo[3,2-d]pyrimidines as anti-cancer agents THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-02-04 US claimed
EP-2004654-B1 PYRAZOLOPYRIMIDINE DERIVATIVES FOR USE AS KINASE ANTAGONISTS UNIV CALIFORNIA (US) 2013-05-22 EP claimed
US-20110301144-A1 Kinase Antagonists THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-12-08 US claimed
JP-4719466-B2 2011-07-06 JP claimed
US-20100173954-A1 TREATMENT OF CANCERS HAVING RESISTANCE TO CHEMOTHERAPEUTIC AGENTS BAYER HEALTHCARE LLC (US) 2010-07-08 US claimed
US-20100015063-A1 Benzodiazepine Derivatives and Pharmaceutical Compositions Containing Them ARROW THERAPEUTICS LIMITED (GB) 2010-01-21 US claimed
US-7585868-B2 Substituted pyrazolo[3,4-D]pyrimidines as kinase antagonists THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-09-08 US claimed
US-20070112058-A1 NOVEL PROSTAMIDES FOR THE TREATMENT OF GLAUCOMA AND RELATED DISEASES WOODWARD DAVID F 2007-05-17 US claimed
JP-2007512252-A 2007-05-17 JP claimed
US-7186744-B2 Prostamides for the treatment of glaucoma and related diseases ALLERGAN, INC. (US) 2007-03-06 US claimed
EP-1682498-A1 NOVEL PROSTAMIDES FOR THE TREATMENT OF GLAUCOMA AND RELATED DISEASES Allergan, Inc. (US) 2006-07-26 EP claimed
US-20060040923-A1 Benzodiazepine derivatives and pharmaceutical compositions containing them ARROW THERAPEUTICS LIMITED (GB) 2006-02-23 US claimed
JP-2006503054-A 2006-01-26 JP claimed
EP-1539716-A1 BENZODIAZEPINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Arrow Therapeutics Limited (GB) 2005-06-15 EP claimed
WO-2005049558-A1 NOVEL PROSTAMIDES FOR THE TREATMENT OF GLAUCOMA AND RELATED DISEASES ALLERGAN, INC. (US) 2005-06-02 WO claimed
US-20050107463-A1 Novel prostamides for the treatment of glaucoma and related diseases ALLERGAN, INC. 2005-05-19 US claimed
WO-2004026843-A1 BENZODIAZEPINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ARROW THERAPEUTICS LIMITED (GB) 2004-04-01 WO claimed
EP-0687249-A1 BALANOIDS ELI LILLY AND COMPANY (US) 1995-12-20 EP claimed
WO-1994020062-A2 BALANOIDS AS PROTEIN KINASE C INHIBITORS ELI LILLY AND COMPANY (US) 1994-09-15 WO claimed
US-5128346-A Cholecystokinin antagonists ABBOTT LABORATORIES (US) 1992-07-07 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-20070112058-A1 NOVEL PROSTAMIDES FOR THE TREATMENT OF GLAUCOMA AND RELATED DISEASES PTGIS, PTGIR, PDE2A ALOX15 275/4885USP2 2166/4885GAA 2244/4885
US-20060040923-A1 Benzodiazepine derivatives and pharmaceutical compositions containing them GABRA6, CNR1, SIGMAR1 ALOX15 2134/4885USP2 4060/4885GAA 3624/4885
US-20110301144-A1 Kinase Antagonists MTOR, RPS6KA3, AKT3 ALOX15 4758/4885USP2 3634/4885GAA 1369/4885
US-20050107463-A1 Novel prostamides for the treatment of glaucoma and related diseases PTGIS, PTGIR, PDE2A ALOX15 275/4885USP2 2166/4885GAA 2244/4885
US-20100015063-A1 Benzodiazepine Derivatives and Pharmaceutical Compositions Containing Them GABRA6, CNR1, SIGMAR1 ALOX15 2251/4885USP2 4084/4885GAA 3350/4885
US-20100173954-A1 TREATMENT OF CANCERS HAVING RESISTANCE TO CHEMOTHERAPEUTIC AGENTS CDK4, TP53, ABCC1 ALOX15 4233/4885USP2 1305/4885GAA 3223/4885

“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.