SCHEMBL6345255

SCHEMBL6345255

CCOc1cccc(-n2nc(C)c3c(=O)c4ccccc4[nH]c32)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
GABRA4 P48169 1/20 0.38
GABRE P78334 1/20 0.38
GABRA6 Q16445 1/20 0.38
GABRG1 Q8N1C3 1/20 0.38
GABRG3 Q99928 1/20 0.38
GABRQ Q9UN88 1/20 0.38
CYP2D6 P10635 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.37
BTK Q06187 1/20 0.37
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL6351818 0.88 BTK (0.37) BTKKDM4EHSD17B10
SCHEMBL6344690 0.87 BTK (0.36) BTKKDM4EHSD17B10
SCHEMBL6344220 0.83 MEN1 (0.40) ABCG2KDM4EHSD17B10
SCHEMBL6349093 0.82 RAB9A (0.39) ABCG2KDM4EHSD17B10
SCHEMBL6339985 0.80 L3MBTL1 (0.43) HSD17B10ADORA3
SCHEMBL6342517 0.75 HPGD (0.42) ABCG2KDM4EHSD17B10ADORA3HTT
Hydrochloric Acid SCHEMBL6353391 0.75 MEN1 (0.40) KDM4EHSD17B10ADORA3HTT
SCHEMBL6341041 0.75 CCNA2 (0.40) HSD17B10
SCHEMBL6351721 0.73 LMNA (0.52) KDM4EHSD17B10HTT
SCHEMBL6342315 0.72 KDM4E (0.39) KDM4EHSD17B10HTT

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 GABRP 2223/4885GABRD 1985/4885GABRA1 2128/4885

“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.