SCHEMBL11931352

SCHEMBL11931352

COc1ccc(CN(Cc2ccc(OC)cc2)c2nn(Cc3ccc(OC)cc3)cc2Br)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
RAB9A P51151 1/20 0.41
MAPT P10636 2/20 0.40
LMNA P02545 2/20 0.40
PTGS2 P35354 1/20 0.39
AADAT Q8N5Z0 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.39
ALOX15 P16050 1/20 0.39
CMA1 P23946 1/20 0.39
CYP19A1 P11511 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 1/20 0.38
HDAC1 Q13547 1/20 0.37
SIGMAR1 Q99720 2/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL14218638 0.84 AADAT (0.41) NPC1MEN1KMT2ARAB9AMAPT
SCHEMBL16784448 0.77 KMT2A (0.57) NPC1MEN1KMT2ARAB9AMAPT
SCHEMBL30922327 0.77 NPC1 (0.45) NPC1MEN1KMT2ARAB9AMAPT
SCHEMBL11931354 0.77 MET (0.44) NPC1MEN1KMT2ARAB9AAADAT
SCHEMBL25334568 0.73 NPC1 (0.54) NPC1MEN1KMT2ARAB9APTGS2
SCHEMBL26694723 0.72 CRHR1 (0.43) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL29180296 0.72 MAPT (0.56) NPC1MEN1KMT2ARAB9AMAPT
SCHEMBL14329228 0.72 SMN1; SMN2 (0.56) NPC1MEN1KMT2ARAB9AMAPT
SCHEMBL26694601 0.72 PIK3CA (0.41) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL17385333 0.71 MEN1 (0.45) NPC1MEN1KMT2ARAB9AMAPT

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-8211854-B2 Methods for inhibiting protein kinases SCHERING CORPORATION (US) 2012-07-03 US disclosed
US-20100125068-A1 METHODS FOR INHIBITING PROTEIN KINASES SCHERING CORPORATION 2010-05-20 US disclosed
US-7605155-B2 Substituted pyrazolo[1,5-a]pyrimidines as protein kinase inhibitors SCHERING CORPORATION (US) 2009-10-20 US disclosed
US-7601724-B2 Substituted pyrazolo[1,5-a]pyrimidines as protein kinase inhibitors SCHERING CORPORATION (US) 2009-10-13 US disclosed
US-7563798-B2 Substituted pyrazolo[1,5-a]pyrimidines as protein kinase inhibitors SCHERING CORPORATION (US) 2009-07-21 US disclosed
WO-2008045267-A2 PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORPORATION (US) 2008-04-17 WO disclosed
WO-2008045266-A2 PYRAZOLOPYRIMIDIWES AS CYCLIN DEPENDENT KINASE INHIBITOR SCHERING CORPORATION (US) 2008-04-17 WO disclosed
WO-2008045268-A2 PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORPORATION (US) 2008-04-17 WO disclosed
US-20070082900-A1 Methods for inhibiting protein kinases SCHERING CORPORATION 2007-04-12 US disclosed
US-20070072880-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION 2007-03-29 US disclosed
US-20070072882-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION 2007-03-29 US disclosed
US-20070072881-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION 2007-03-29 US 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 (5 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-20070072882-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors CDK2, CDK1, CDKN1A NPC1 3746/4885MEN1 3191/4885KMT2A 1051/4885
US-20070082900-A1 Methods for inhibiting protein kinases PIM1, AURKC, PIM3 NPC1 2445/4885MEN1 2806/4885KMT2A 1517/4885
US-20070072880-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors CDK2, CDK1, CDKN1A NPC1 3746/4885MEN1 3191/4885KMT2A 1051/4885
US-20100125068-A1 METHODS FOR INHIBITING PROTEIN KINASES PIM1, AURKC, PIM3 NPC1 2445/4885MEN1 2806/4885KMT2A 1517/4885
US-20070072881-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors CDK2, CDK1, CDKN1A NPC1 3746/4885MEN1 3191/4885KMT2A 1051/4885

“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.