SCHEMBL4932097

SCHEMBL4932097

Cc1ccc(-c2cc(C(=O)O)nn2-c2cccnc2)nc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MARS1 P56192 2/20 0.53
RPA1 P27694 5/20 0.49
CYP3A4 P08684 1/20 0.47
CYP2A6 P11509 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
PPP1CA P62136 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MDM2 Q00987 4/20 0.43
MCL1 Q07820 3/20 0.43
BCL2 P10415 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL4923262 0.88 CYP3A4 (0.44) MARS1CYP3A4CYP2A6MEN1KMT2A
SCHEMBL4927577 0.87 MARS1 (0.53) MARS1RPA1MEN1KMT2APPP1CA
SCHEMBL5521076 0.87 MARS1 (0.53) MARS1RPA1CYP2A6MEN1KMT2A
SCHEMBL4932119 0.86 MARS1 (0.53) MARS1RPA1MEN1KMT2APPP1CA
SCHEMBL27648672 0.86 MARS1 (0.53) MARS1RPA1MEN1KMT2APPP1CA
SCHEMBL5524370 0.86 MARS1 (0.53) MARS1RPA1MEN1KMT2APPP1CA
SCHEMBL4932725 0.86 MARS1 (0.64) MARS1RPA1MEN1KMT2APPP1CA
SCHEMBL4927987 0.86 KMT2A (0.54) CYP3A4CYP2A6MEN1KMT2AALDH1A1
SCHEMBL5267172 0.86 PPP1CA (0.50) RPA1MEN1KMT2APPP1CASMN1; SMN2
SCHEMBL5522031 0.85 CNR1 (0.52) MARS1CYP3A4CYP2A6MEN1KMT2A

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
US-20080064682-A1 Pyrazole Derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-03-13 US disclosed
US-20080064682-A1 Pyrazole Derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-03-13 US disclosed
US-20080064682-A1 Pyrazole Derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-03-13 US disclosed
US-20070219210-A1 Amidopyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-09-20 US disclosed
US-20070219210-A1 Amidopyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-09-20 US disclosed
US-20070219210-A1 Amidopyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-09-20 US disclosed
CN-1980912-A Pyrazole derivatives DAIICHI SEIYAKU CO (JP) 2007-06-13 CN disclosed
EP-1762568-A1 PYRAZOLE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-14 EP disclosed
CN-1902191-A Amidopyrazole derivative DAIICHI SEIYAKU CO (JP) 2007-01-24 CN disclosed
EP-1698626-A1 AMIDOPYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-09-06 EP 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-20080064682-A1 Pyrazole Derivatives NAT1, AR, CBR3 MARS1 760/4885RPA1 1135/4885CYP3A4 65/4885
US-20070219210-A1 Amidopyrazole Derivative PTGER1, PTGS1, PTGER2 MARS1 2982/4885RPA1 1661/4885CYP3A4 151/4885

“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.