SCHEMBL4710089

SCHEMBL4710089

COC(=O)C(C(=O)c1ccc(OCc2ccccc2)cc1)C1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.53
KMT2A Q03164 2/20 0.53
KDM4E B2RXH2 2/20 0.53
MAOB P27338 1/20 0.50
NR4A1 P22736 1/20 0.49
NR4A2 P43354 1/20 0.49
NR4A3 Q92570 1/20 0.49
CHRNB2 P17787 1/20 0.48
CHRNA5 P30532 1/20 0.48
CHRNA7 P36544 1/20 0.48
CHRNA4 P43681 1/20 0.48
DHODH Q02127 1/20 0.48
LTA4H P09960 1/20 0.48
RAB9A P51151 3/20 0.47
ALDH1A1 P00352 3/20 0.47
PARP10 Q53GL7 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
NPC1 O15118 2/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL14014029 0.85 MAOB (0.58) MAOBNR4A2L3MBTL1
SCHEMBL28077720 0.83 TSHR (0.57) SMN1; SMN2KMT2AALDH1A1NPSR1
SCHEMBL14038771 0.82 ALDH1A1 (0.50) SMN1; SMN2KMT2AALDH1A1L3MBTL1NPSR1
SCHEMBL5516858 0.81 NR4A1 (0.54) SMN1; SMN2KMT2AKDM4EMAOBNR4A1
SCHEMBL22664703 0.81 SMN1; SMN2 (0.54) SMN1; SMN2KMT2AKDM4EMAOBNR4A1
SCHEMBL10422181 0.80 SMN1; SMN2 (0.53) SMN1; SMN2KMT2AKDM4ECHRNB2CHRNA5
SCHEMBL8375718 0.77 TSHR (0.49) SMN1; SMN2KMT2AKDM4EALDH1A1NPSR1
SCHEMBL13150802 0.77 LTA4H (0.62) SMN1; SMN2MAOBNR4A1NR4A2NR4A3
SCHEMBL14257280 0.76 SMN1; SMN2 (0.50) SMN1; SMN2KMT2ARAB9AALDH1A1NPSR1
SCHEMBL14014030 0.76 SMN1; SMN2 (0.50) SMN1; SMN2KMT2ARAB9AALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7449488-B2 Pyrazolopyrimidines as protein kinase inhibitors SCHERING CORPORATION (US) 2008-11-11 US disclosed
US-7449488-B2 Pyrazolopyrimidines as protein kinase inhibitors SCHERING CORPORATION (US) 2008-11-11 US disclosed
EP-1934225-A1 PYRAZOLO [1,5-A] PYRIMIDINES AS PROTEIN KINASE INHIBITORS SCHERING CORPORATION (US) 2008-06-25 EP disclosed
EP-1511751-B1 PYRAZOLO[1,5-A]PYRIMIDINE COMPOUNDS AS ANTIVIRAL AGENTS NEOGENESIS PHARMACEUTICALS INC (US) 2008-03-19 EP disclosed
WO-2007044410-A1 PYRAZOLO [1,5-A] PYRIMIDINES AS PROTEIN KINASE INHIBITORS SCHERING CORPORATION (US) 2007-04-19 WO disclosed
US-7196111-B2 Pyrazolo[1,5a]pyrimidine compounds as antiviral agents SCHERING CORPORATION (US) 2007-03-27 US disclosed
US-7196111-B2 Pyrazolo[1,5a]pyrimidine compounds as antiviral agents SCHERING CORPORATION (US) 2007-03-27 US disclosed
US-20060094706-A1 Pyrazolopyrimidines as protein kinase inhibitors SCHERING CORPORATION 2006-05-04 US disclosed
EP-1511751-A1 PYRAZOLO[1,5-A]PYRIMIDINE COMPOUNDS AS ANTIVIRAL AGENTS Neogenesis Pharmaceuticals, Inc. (US) 2005-03-09 EP disclosed
US-20040038993-A1 Pyrazolo[1,5a]pyrimidine compounds as antiviral agents NEOGENESIS PHARMACEUTICALS, INC. 2004-02-26 US disclosed
WO-2003101993-A1 PYRAZOLO` 1,5A! PYRIMIDINE COMPOUNDS AS ANTIVIRAL AGENTS NEOGENESIS PHARMACEUTICALS, INC. (US) 2003-12-11 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-20040038993-A1 Pyrazolo[1,5a]pyrimidine compounds as antiviral agents RNGTT, PNP, ZC3HAV1 SMN1; SMN2 4266/4885KMT2A 2226/4885KDM4E 642/4885
US-20060094706-A1 Pyrazolopyrimidines as protein kinase inhibitors CDKN1A, EIF2AK2, DCK SMN1; SMN2 3376/4885KMT2A 1238/4885KDM4E 529/4885

“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.