SCHEMBL4708972

SCHEMBL4708972

O=C(Cc1ccc(I)cc1)C1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
EPHX2 P34913 3/20 0.41
POLB P06746 2/20 0.41
EPHX1 P07099 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
SIGMAR1 Q99720 2/20 0.40
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HTR2A P28223 1/20 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
SCHEMBL6469067 0.82 SMN1; SMN2 (0.50) NPC1RAB9APOLBALDH1A1
SCHEMBL2585173 0.82 NPC1 (0.42) NPC1RAB9AEPHX2POLBALDH1A1
SCHEMBL163232 0.81 EPHX2 (0.59) EPHX2KMT2AALDH1A1L3MBTL1
SCHEMBL6840220 0.81 SRD5A2 (0.56) NPC1RAB9AEPHX2EPHX1KMT2A
SCHEMBL800064 0.79 EPHX2 (0.56) EPHX2KMT2AALDH1A1L3MBTL1
SCHEMBL6840306 0.79 KMT2A (0.48) NPC1RAB9AEPHX1KMT2AALDH1A1
SCHEMBL24117533 0.79 CYP19A1 (0.59) EPHX1KMT2AALDH1A1
SCHEMBL2578793 0.78 NPC1 (0.48) NPC1RAB9AEPHX2EPHX1
SCHEMBL26039738 0.78 EPHX2 (0.64) NPC1RAB9AEPHX2POLBSIGMAR1
SCHEMBL8381452 0.77 KMT2A (0.49) EPHX2EPHX1KMT2A

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 14 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
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
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-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 3257/4885EPHX2 1631/4885
US-20060094706-A1 Pyrazolopyrimidines as protein kinase inhibitors CDKN1A, EIF2AK2, DCK NPC1 3425/4885RAB9A 3288/4885EPHX2 2582/4885

“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.