SCHEMBL6339985

SCHEMBL6339985

Cc1nn(-c2ccccn2)c2[nH]c3ccccc3c(=O)c12

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 3/20 0.42
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 1/20 0.40
THRB P10828 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
KMT2A Q03164 1/20 0.40
CHIA Q9BZP6 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL6341115 0.88 MEN1 (0.45) L3MBTL1MAPTHPGDMAPK1ALDH1A1
SCHEMBL6344842 0.87 SPR (0.43)
SCHEMBL6342646 0.87 ALDH1A1 (0.48) MAPTHPGDALDH1A1KMT2AHSD17B10
SCHEMBL6342517 0.87 HPGD (0.42) HPGDMAPK1ALDH1A1SMN1; SMN2ADORA3
SCHEMBL6344363 0.86 MAPT (0.43) MAPTCCNA2CDK2HPGDMAPK1
SCHEMBL6342655 0.86 SPR (0.43) MAPTCCNA2CDK2HPGDALDH1A1
SCHEMBL6342408 0.86 KDM4E (0.43) L3MBTL1MAPTALDH1A1KMT2AHSD17B10
SCHEMBL6343491 0.86 MAPT (0.43) L3MBTL1MAPTCCNA2CDK2ALDH1A1
SCHEMBL6341577 0.86 ALDH1A1 (0.41) L3MBTL1MAPTCCNA2CDK2HPGD
SCHEMBL6343219 0.86 L3MBTL1 (0.40) L3MBTL1MAPTCCNA2CDK2HPGD

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 3408/4885CCNA2 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.