SCHEMBL6351818

SCHEMBL6351818

CCOc1cccc(-n2nc(C)c3c(=O)c4c(C)cccc4[nH]c32)n1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.37
KDM4E B2RXH2 3/20 0.34
HSD17B10 Q99714 2/20 0.34
ELANE P08246 1/20 0.34
HPGD P15428 3/20 0.33
TP53 P04637 1/20 0.33
PDE5A O76074 1/20 0.33
MAPK1 P28482 1/20 0.33
ALDH1A1 P00352 2/20 0.32
PARP1 P09874 1/20 0.32
PDE2A O00408 1/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 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 0.88 GABRP (0.38) BTKKDM4EHSD17B10
SCHEMBL6344690 0.84 BTK (0.36) BTKKDM4EHSD17B10HPGDTP53
SCHEMBL6351972 0.80 MAPT (0.41) KDM4EHSD17B10HPGDMAPK1ALDH1A1
SCHEMBL6345597 0.74 HSD17B10 (0.39) KDM4EHSD17B10HPGDMAPK1ALDH1A1
SCHEMBL6344633 0.72 ELANE (0.40) KDM4EHSD17B10ELANEHPGDALDH1A1
SCHEMBL6354124 0.70 MAPT (0.41) KDM4EHSD17B10HPGDMAPK1ALDH1A1
SCHEMBL6344220 0.70 MEN1 (0.40) KDM4EHSD17B10HPGDMAPK1ALDH1A1
SCHEMBL6340087 0.70 MAPT (0.42) KDM4EHSD17B10HPGDMAPK1ALDH1A1
SCHEMBL6339835 0.69 KDM4E (0.37) KDM4EHSD17B10ELANEHPGDALDH1A1
SCHEMBL6349093 0.69 RAB9A (0.39) KDM4EHSD17B10HPGDMAPK1ALDH1A1

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 3041/4885KDM4E 1741/4885HSD17B10 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.