SCHEMBL6351972

SCHEMBL6351972

Cc1cccc2[nH]c3c(c(C)nn3-c3ccccn3)c(=O)c12

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
HSD17B10 Q99714 1/20 0.41
CCNA2 P20248 5/20 0.39
CDK2 P24941 5/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
THRB P10828 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
KDM4E B2RXH2 1/20 0.38
PARP1 P09874 1/20 0.38
CCNO P22674 1/20 0.37
CCNE1 P24864 1/20 0.37
CCNA1 P78396 1/20 0.37

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
SCHEMBL6354124 0.89 MAPT (0.41) MAPTHSD17B10CCNA2CDK2ALDH1A1
SCHEMBL6340087 0.88 MAPT (0.42) MAPTHSD17B10CCNA2CDK2ALDH1A1
Hydrochloric Acid SCHEMBL6342923 0.87 MAPT (0.42) MAPTHSD17B10CCNA2CDK2ALDH1A1
SCHEMBL6340217 0.85 ALDH1A1 (0.44) MAPTHSD17B10ALDH1A1HPGDMAPK1
SCHEMBL6339985 0.85 L3MBTL1 (0.43) MAPTHSD17B10CCNA2CDK2ALDH1A1
SCHEMBL6345597 0.84 HSD17B10 (0.39) HSD17B10ALDH1A1HPGDMAPK1KDM4E
SCHEMBL6345281 0.83 ALDH1A1 (0.46) MAPTHSD17B10CCNA2CDK2ALDH1A1
SCHEMBL6350635 0.83 MAPT (0.39) MAPTHSD17B10CCNA2CDK2ALDH1A1
SCHEMBL6354095 0.82 L3MBTL1 (0.40) MAPTHSD17B10CCNA2CDK2ALDH1A1
SCHEMBL6351818 0.80 BTK (0.37) HSD17B10CCNA2CDK2ALDH1A1HPGD

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 MAPT 3408/4885HSD17B10 802/4885CCNA2 2520/4885

“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.