SCHEMBL509023

SCHEMBL509023

NCc1cc(C(N)=O)ccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.47
POLB P06746 1/20 0.47
KDM4E B2RXH2 2/20 0.46
LMNA P02545 1/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
KDM5C P41229 5/20 0.46
KDM5B Q9UGL1 4/20 0.46
KDM4C Q9H3R0 3/20 0.46
KDM5A P29375 2/20 0.46
KDM5D Q9BY66 1/20 0.46
KDM4B O94953 2/20 0.45
MBOAT4 Q96T53 1/20 0.44
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
PARP10 Q53GL7 1/20 0.41
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 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
SCHEMBL8594535 0.85 CYP1A2 (0.47) CYP1A2POLBKDM4ELMNACYP3A4
SCHEMBL12252467 0.85 GABRP (0.58) CYP1A2POLBKDM4EKDM5CKDM5B
SCHEMBL30607268 0.85 CYP1A2 (0.47) CYP1A2POLBKDM4ELMNACYP3A4
SCHEMBL7668183 0.85 CYP1A2 (0.47) CYP1A2POLBKDM4ELMNACYP3A4
Hydrochloric Acid SCHEMBL1244313 0.83 GABRP (0.56) CYP1A2POLBKDM4EKDM5CKDM5B
SCHEMBL15991431 0.83 CYP1A2 (0.46) CYP1A2POLBKDM4ELMNACYP3A4
SCHEMBL5566822 0.83 CYP1A2 (0.46) CYP1A2POLBKDM4ELMNACYP3A4
2-Ethylisonicotinamide SCHEMBL2606610 0.83 CYP1A2 (0.69) CYP1A2POLBKDM4ELMNACYP3A4
SCHEMBL5147899 0.81 TSHR (0.51) CYP1A2POLBKDM4ELMNACYP3A4
SCHEMBL17873933 0.80 KDM4E (0.73) CYP1A2POLBKDM4ELMNACYP3A4

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119633134-A Bionic naringenin polydopamine nanoparticle and application thereof 北京大学人民医院 2025-03-18 CN claimed
CN-119633134-A Bionic naringenin polydopamine nanoparticle and application thereof 北京大学人民医院 2025-03-18 CN disclosed
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-20120029192-A1 Pyrazole Derivatives PFIZER INC 2012-02-02 US disclosed
US-20120029192-A1 Pyrazole Derivatives PFIZER INC 2012-02-02 US disclosed
US-8063044-B2 Pyrazole derivatives PFIZER INC. (US) 2011-11-22 US disclosed
US-8063044-B2 Pyrazole derivatives PFIZER INC. (US) 2011-11-22 US disclosed
US-8063044-B2 Pyrazole derivatives PFIZER INC. (US) 2011-11-22 US disclosed
US-20090215712-A1 PYRAZOLE DERIVATIVES PFIZER INC 2009-08-27 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-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
EP-1377556-A1 PYRAZOLE DERIVATIVES FOR TREATING HIV Pfizer Limited (GB) 2004-01-07 EP disclosed
US-20030100554-A1 Pyrazole derivatives JONES LYN HOWARD (GB) 2003-05-29 US disclosed
WO-2002085860-A1 PYRAZOLE DERIVATIVES FOR TREATING HIV PFIZER LIMITED (GB) 2002-10-31 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 (4 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-20090215712-A1 PYRAZOLE DERIVATIVES RRM2B, REV1, RRM2 CYP1A2 348/4885POLB 40/4885KDM4E 1500/4885
US-20060020012-A1 Pyrazole derivatives PDCD11, RTF1, REV1 CYP1A2 400/4885POLB 93/4885KDM4E 1943/4885
US-20120029192-A1 Pyrazole Derivatives POLRMT, PDCD11, DPYD CYP1A2 307/4885POLB 41/4885KDM4E 2614/4885
US-20030100554-A1 Pyrazole derivatives REV1, SARS1, CYP2F1 CYP1A2 173/4885POLB 66/4885KDM4E 2816/4885

“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.