SCHEMBL6350635

SCHEMBL6350635

Cc1nn(-c2ccccn2)c2[nH]c3ccc(F)c(F)c3c(=O)c12

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
ALDH1A1 P00352 3/20 0.38
CCNA2 P20248 4/20 0.38
CDK2 P24941 4/20 0.38
THRB P10828 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HPGD P15428 2/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 2/20 0.36
KDM4E B2RXH2 2/20 0.36
P2RX7 Q99572 1/20 0.36
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL6340087 0.88 MAPT (0.42) MAPTALDH1A1CCNA2CDK2THRB
Hydrochloric Acid SCHEMBL6342923 0.87 MAPT (0.42) MAPTALDH1A1CCNA2CDK2THRB
SCHEMBL6351972 0.83 MAPT (0.41) MAPTALDH1A1CCNA2CDK2THRB
SCHEMBL6342685 0.82 L3MBTL1 (0.41) MAPTALDH1A1CCNA2CDK2THRB
SCHEMBL6354124 0.82 MAPT (0.41) MAPTALDH1A1CCNA2CDK2THRB
Water SCHEMBL6344649 0.81 L3MBTL1 (0.41) MAPTALDH1A1CCNA2CDK2THRB
SCHEMBL6342408 0.81 KDM4E (0.43) MAPTALDH1A1HSD17B10KDM4EP2RX7
SCHEMBL6339985 0.80 L3MBTL1 (0.43) MAPTALDH1A1CCNA2CDK2THRB
SCHEMBL6342646 0.80 ALDH1A1 (0.48) MAPTALDH1A1HPGDHSD17B10KDM4E
SCHEMBL6341840 0.80 ALDH1A1 (0.40) MAPTALDH1A1CCNA2CDK2SMN1; SMN2

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 3408/4885ALDH1A1 1061/4885CCNA2 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.