SCHEMBL6353735

SCHEMBL6353735

Cc1nn(-c2ccccn2)c2[nH]c3ccc(C(=O)O)cc3c(=O)c12

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SPR P35270 4/20 0.42
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 4/20 0.41
HPGD P15428 3/20 0.41
HTT P42858 2/20 0.41
APEX1 P27695 1/20 0.40
THRB P10828 1/20 0.40
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
HSD17B10 Q99714 1/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
DYRK1A Q13627 1/20 0.38

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
SCHEMBL6345178 0.92 DYRK1A (0.45) SPRKDM4EALDH1A1HPGDHTT
SCHEMBL6350724 0.89 KDM4E (0.44) SPRKDM4EALDH1A1HPGDHTT
SCHEMBL6341115 0.86 MEN1 (0.45) SPRKDM4EALDH1A1HPGDMAPT
SCHEMBL6342646 0.85 ALDH1A1 (0.48) SPRKDM4EALDH1A1HPGDGAA
SCHEMBL6341577 0.84 ALDH1A1 (0.41) KDM4EALDH1A1HPGDTHRBMAPT
SCHEMBL6342408 0.84 KDM4E (0.43) SPRKDM4EALDH1A1HTTGAA
SCHEMBL6343491 0.84 MAPT (0.43) KDM4EALDH1A1THRBMAPTHSD17B10
SCHEMBL6339985 0.84 L3MBTL1 (0.43) ALDH1A1HPGDTHRBMAPTHSD17B10
SCHEMBL6342518 0.83 ABCG2 (0.48) KDM4EALDH1A1HPGDHTTGAA
SCHEMBL6354120 0.82 CA12 (0.42) KDM4EALDH1A1HPGDTHRBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6949648-B2 Condensed pyrazole derivatives, process for producing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-09-27 US disclosed
US-20030187014-A1 Condensed pyrazole derivatives, process for producing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-10-02 US disclosed
EP-1270572-A1 CONDENSED PYRAZOLE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND USE THEREOF TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-01-02 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 (1 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-20030187014-A1 Condensed pyrazole derivatives, process for producing the same and use thereof PTGS1, PTGIS, IL5 SPR 1579/4885KDM4E 1741/4885ALDH1A1 1061/4885

“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.