SCHEMBL4707484

SCHEMBL4707484

CCOC(=O)c1cnn2c(-c3ccccc3)c(-c3ccc(I)cc3)cnc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.60
RAB9A P51151 6/20 0.60
SMN1; SMN2 Q16637 5/20 0.60
MAPT P10636 3/20 0.60
NFKB1 P19838 2/20 0.60
NFKB2 Q00653 2/20 0.60
RELA Q04206 2/20 0.60
KDM4E B2RXH2 9/20 0.58
ALDH1A1 P00352 6/20 0.58
HSD17B10 Q99714 4/20 0.58
HPGD P15428 4/20 0.58
TP53 P04637 2/20 0.58
STAT1 P42224 1/20 0.58
KDR P35968 1/20 0.51
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.50
TSHR P16473 2/20 0.49
CASP1 P29466 1/20 0.49
CASP7 P55210 1/20 0.49
ALOX15 P16050 1/20 0.49

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
SCHEMBL4709877 0.88 NPC1 (0.59) NPC1RAB9ASMN1; SMN2MAPTNFKB1
SCHEMBL14014459 0.88 NPC1 (0.59) NPC1RAB9ASMN1; SMN2MAPTNFKB1
SCHEMBL14014445 0.86 NPC1 (0.56) NPC1RAB9ASMN1; SMN2MAPTNFKB1
SCHEMBL14014390 0.86 NPC1 (0.56) NPC1RAB9ASMN1; SMN2MAPTNFKB1
SCHEMBL4708888 0.84 NPC1 (0.54) NPC1RAB9ASMN1; SMN2MAPTNFKB1
SCHEMBL14014385 0.82 NPC1 (0.57) NPC1RAB9ASMN1; SMN2MAPTNFKB1
SCHEMBL4710408 0.82 NPC1 (0.58) NPC1RAB9ASMN1; SMN2MAPTNFKB1
SCHEMBL2083730 0.81 NPC1 (0.58) NPC1RAB9ASMN1; SMN2MAPTNFKB1
SCHEMBL4108806 0.79 ALDH1A1 (0.52) NPC1RAB9ASMN1; SMN2MAPTNFKB1
SCHEMBL4707482 0.79 NPC1 (0.47) NPC1RAB9ASMN1; SMN2MAPTNFKB1

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 9 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
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-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 NPC1 1684/4885RAB9A 3257/4885SMN1; SMN2 4266/4885
US-20060094706-A1 Pyrazolopyrimidines as protein kinase inhibitors CDKN1A, EIF2AK2, DCK NPC1 3425/4885RAB9A 3288/4885SMN1; SMN2 3376/4885

“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.