SCHEMBL6344690

SCHEMBL6344690

CCOc1cccc(-n2nc(C)c3c(=O)c4cccc(C)c4[nH]c32)n1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.36
EGFR P00533 1/20 0.34
HSD17B10 Q99714 2/20 0.34
KDM4E B2RXH2 2/20 0.34
HPGD P15428 2/20 0.33
TP53 P04637 1/20 0.33
PDE5A O76074 1/20 0.33
TSHR P16473 1/20 0.33
CHEK1 O14757 1/20 0.32
MAPK1 P28482 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ALOX15 P16050 1/20 0.32
RAB9A P51151 1/20 0.32
PARP1 P09874 1/20 0.32

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
SCHEMBL6345255 0.87 GABRP (0.38) BTKHSD17B10KDM4E
SCHEMBL6351818 0.84 BTK (0.37) BTKHSD17B10KDM4EHPGDTP53
SCHEMBL6354095 0.81 L3MBTL1 (0.40) EGFRHSD17B10KDM4EHPGDMAPK1
SCHEMBL6342478 0.78 AR (0.40) EGFRHSD17B10KDM4EHPGDMAPK1
SCHEMBL6351289 0.75 NPSR1 (0.40) EGFRHSD17B10KDM4EHPGDCHEK1
SCHEMBL6353601 0.71 KDM4E (0.39) KDM4EHPGDTSHRALDH1A1RAB9A
SCHEMBL6339835 0.71 KDM4E (0.37) HSD17B10KDM4EHPGDTSHRALDH1A1
SCHEMBL6341201 0.70 MAPT (0.40) HSD17B10KDM4EHPGDMAPK1ALDH1A1
SCHEMBL6344220 0.69 MEN1 (0.40) HSD17B10KDM4EHPGDMAPK1NPC1
SCHEMBL6349093 0.68 RAB9A (0.39) HSD17B10KDM4EHPGDMAPK1NPC1

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 BTK 3041/4885EGFR 4851/4885HSD17B10 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.