SCHEMBL509374

SCHEMBL509374

NC(=O)c1ccnc(CNC(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5B Q9UGL1 6/20 0.50
KDM5C P41229 6/20 0.50
KDM5A P29375 2/20 0.50
KDM4C Q9H3R0 2/20 0.50
KDM5D Q9BY66 1/20 0.50
KDM4B O94953 3/20 0.46
KDM4A O75164 3/20 0.46
MBOAT4 Q96T53 1/20 0.43
POLB P06746 3/20 0.41
CYP1A2 P05177 1/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 2/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
KDM6B O15054 1/20 0.40
KDM2B Q8NHM5 1/20 0.40
KMT2A Q03164 1/20 0.40
KLKB1 P03952 2/20 0.39
MAP4K1 Q92918 2/20 0.39

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
SCHEMBL29129147 0.81 KDM5B (0.60) KDM5BKDM5CKDM5AKDM4CKDM5D
SCHEMBL23705892 0.79 KDM4A (0.48) KDM5BKDM5CKDM4BKDM4APOLB
SCHEMBL10285171 0.79 KDM5A (0.46) KDM5BKDM5CKDM5AKDM4CKDM5D
SCHEMBL22581521 0.78 KMT2A (0.49) SMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL30607268 0.78 CYP1A2 (0.47) KDM5BKDM5CKDM5AKDM4CKDM5D
SCHEMBL8594535 0.78 CYP1A2 (0.47) KDM5BKDM5CKDM5AKDM4CKDM5D
SCHEMBL509023 0.78 CYP1A2 (0.47) KDM5BKDM5CKDM5AKDM4CKDM5D
SCHEMBL7668183 0.78 CYP1A2 (0.47) KDM5BKDM5CKDM5AKDM4CKDM5D
SCHEMBL21437557 0.77 RAB9A (0.48) POLBKDM4ESMN1; SMN2KMT2AKLKB1
SCHEMBL3475219 0.77 SMN1; SMN2 (0.49) KDM5BKDM5CKDM4BKDM4APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1762567-B1 Pyrazole derivatives for treating HIV PFIZER LTD (GB) 2012-05-02 EP disclosed
US-20120029192-A1 Pyrazole Derivatives PFIZER INC 2012-02-02 US disclosed
US-7435728-B2 Pyrazole derivatives PFIZER INC (US) 2008-10-14 US disclosed
EP-1377556-B1 PYRAZOLE DERIVATIVES FOR TREATING HIV PFIZER LTD (GB) 2007-04-04 EP disclosed
EP-1762567-A1 Pyrazole derivatives for treating HIV Pfizer Limited (GB) 2007-03-14 EP disclosed
US-7109228-B2 Pyrazole derivatives AGOURON PHARMACEUTICALS, INC. (US) 2006-09-19 US disclosed
US-20060020012-A1 Pyrazole derivatives PFIZER INC 2006-01-26 US disclosed
US-20030100554-A1 Pyrazole derivatives JONES LYN HOWARD (GB) 2003-05-29 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 (3 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-20060020012-A1 Pyrazole derivatives PDCD11, RTF1, REV1 KDM5B 1873/4885KDM5C 1524/4885KDM5A 1292/4885
US-20120029192-A1 Pyrazole Derivatives POLRMT, PDCD11, DPYD KDM5B 1835/4885KDM5C 1435/4885KDM5A 1351/4885
US-20030100554-A1 Pyrazole derivatives REV1, SARS1, CYP2F1 KDM5B 2230/4885KDM5C 1728/4885KDM5A 1577/4885

“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.