SCHEMBL509375

SCHEMBL509375

CN(C(=O)O)c1cc(C(N)=O)ccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5C P41229 3/20 0.41
KDM5B Q9UGL1 3/20 0.41
KDM4B O94953 1/20 0.41
KDM5A P29375 2/20 0.40
KDM4C Q9H3R0 2/20 0.40
KDM5D Q9BY66 1/20 0.40
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRB2 P47870 1/20 0.40
GABRA4 P48169 1/20 0.40
GABRE P78334 1/20 0.40
GABRA6 Q16445 1/20 0.40
GABRG1 Q8N1C3 1/20 0.40

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
SCHEMBL27992641 0.85 KDM4E (0.38) KDM5CKDM5BKDM5AKDM4CGABRP
SCHEMBL4306410 0.84 PROKR1 (0.45) KDM5CKDM5BKDM4BKDM5AKDM4C
SCHEMBL28393110 0.83 HRH4 (0.40) KDM5CKDM5BKDM4BKDM5AKDM4C
SCHEMBL30228066 0.79 PROKR1 (0.48) KDM5CKDM5BKDM4BKDM5AKDM4C
SCHEMBL3860679 0.78 KDM5C (0.39) KDM5CKDM5BKDM4BKDM5AKDM4C
SCHEMBL26988223 0.77 TPMT (0.37) KDM5CKDM5BKDM5AKDM4CPROKR1
SCHEMBL3475222 0.76 ALDH1A1 (0.50) KDM4EALDH1A1MAPTKMT2ACYP3A4
SCHEMBL3465354 0.75 KDM5C (0.40) KDM5CKDM5BKDM4BKDM5AKDM4C
SCHEMBL27669146 0.75 KDM5C (0.39) KDM5CKDM5BKDM4BKDM5AKDM4C
SCHEMBL3353364 0.74 HCAR3 (0.48) KDM5CKDM5BKDM4BKDM5AKDM4C

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 10 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
CN-100408564-C Pyrazole derivatives for treating HIV PFIZER LTD (US) 2008-08-06 CN 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
CN-1514828-A Pyrazole derivatives for treating HIV 2004-07-21 CN 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 KDM5C 1524/4885KDM5B 1873/4885KDM4B 1436/4885
US-20120029192-A1 Pyrazole Derivatives POLRMT, PDCD11, DPYD KDM5C 1435/4885KDM5B 1835/4885KDM4B 1978/4885
US-20030100554-A1 Pyrazole derivatives REV1, SARS1, CYP2F1 KDM5C 1728/4885KDM5B 2230/4885KDM4B 2264/4885

“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.