SCHEMBL6354095

SCHEMBL6354095

Cc1cccc2c(=O)c3c(C)nn(-c4ccccn4)c3[nH]c12

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 2/20 0.40
HSD17B10 Q99714 1/20 0.40
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
THRB P10828 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
EGFR P00533 1/20 0.38
CCNA2 P20248 2/20 0.38
CDK2 P24941 2/20 0.38
KDM4E B2RXH2 1/20 0.38
PARP1 P09874 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
SCHEMBL6341201 0.89 MAPT (0.40) L3MBTL1MAPTHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL6351289 0.85 NPSR1 (0.40) HSD17B10ALDH1A1HPGDMAPK1EGFR
SCHEMBL6339985 0.84 L3MBTL1 (0.43) L3MBTL1MAPTHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL6351972 0.82 MAPT (0.41) MAPTHSD17B10ALDH1A1SMN1; SMN2THRB
SCHEMBL6342478 0.81 AR (0.40) MAPTHSD17B10ALDH1A1SMN1; SMN2HPGD
SCHEMBL6344690 0.81 BTK (0.36) HSD17B10ALDH1A1HPGDMAPK1EGFR
SCHEMBL6354533 0.80 SMN1; SMN2 (0.43) L3MBTL1MAPTHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL6343219 0.78 L3MBTL1 (0.40) L3MBTL1MAPTHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL6341115 0.78 MEN1 (0.45) L3MBTL1MAPTHSD17B10ALDH1A1HPGD
SCHEMBL6344842 0.77 SPR (0.43)

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 L3MBTL1 4704/4885MAPT 3408/4885HSD17B10 802/4885

“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.