SCHEMBL4710029

SCHEMBL4710029

COC(=O)C(Cc1cc2ccccc2[nH]1)NC(=O)c1cc2[nH]c(-c3ccco3)c(-c3ccccc3)c(=O)n2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
KDM4E B2RXH2 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
PIN1 Q13526 4/20 0.39
HDAC1 Q13547 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
ALDH1A1 P00352 2/20 0.38
PKM P14618 1/20 0.38
PYGL P06737 1/20 0.37
ADAMTS4 O75173 1/20 0.36
HPGD P15428 1/20 0.36
APOBEC3G Q9HC16 1/20 0.35
TACR3 P29371 1/20 0.34

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
SCHEMBL4707957 0.93 KDM4E (0.43) ADORA3ADORA2AADORA1KDM4EMEN1
SCHEMBL4710027 0.86 ADORA3 (0.41) ADORA3ADORA2AADORA1KDM4EMEN1
SCHEMBL14014036 0.86 ADORA3 (0.41) ADORA3ADORA2AADORA1KDM4EMEN1
SCHEMBL4709066 0.80 AXL (0.42) ADORA3KDM4EMAPTRAB9AALDH1A1
SCHEMBL4707958 0.79 KDM4E (0.38) ADORA3ADORA2AADORA1KDM4EMEN1
SCHEMBL14014038 0.79 KDM4E (0.38) ADORA3ADORA2AADORA1KDM4EMEN1
SCHEMBL4708936 0.76 KDM4E (0.47) ADORA3ADORA2AKDM4EMEN1KMT2A
SCHEMBL14015113 0.72 KMT2A (0.42) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL14015104 0.70 ADAMTS4 (0.39) KDM4EMEN1KMT2AMAPTRAB9A
SCHEMBL14015105 0.66 ADAMTS4 (0.38) KDM4EMEN1KMT2AMAPTRAB9A

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 5 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-1511751-B1 PYRAZOLO[1,5-A]PYRIMIDINE COMPOUNDS AS ANTIVIRAL AGENTS NEOGENESIS PHARMACEUTICALS INC (US) 2008-03-19 EP 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
US-20040038993-A1 Pyrazolo[1,5a]pyrimidine compounds as antiviral agents NEOGENESIS PHARMACEUTICALS, INC. 2004-02-26 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 (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 ADORA3 297/4885ADORA2A 665/4885ADORA1 439/4885
US-20060094706-A1 Pyrazolopyrimidines as protein kinase inhibitors CDKN1A, EIF2AK2, DCK ADORA3 1709/4885ADORA2A 1450/4885ADORA1 1620/4885

“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.