SCHEMBL6341306

SCHEMBL6341306

Cc1cccnc1-n1nc(C)c2c(=O)c3ccccc3[nH]c21

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.41
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ERBB2 P04626 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PARP1 P09874 2/20 0.38

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
SCHEMBL6345597 0.87 HSD17B10 (0.39) HSD17B10HPGDMAPK1KDM4EALDH1A1
SCHEMBL6351289 0.86 NPSR1 (0.40) NPSR1HSD17B10HPGDMAPK1MEN1
SCHEMBL6342517 0.85 HPGD (0.42) HSD17B10HPGDMAPK1ADORA3MEN1
SCHEMBL6339985 0.83 L3MBTL1 (0.43) HSD17B10HPGDMAPK1ADORA3KMT2A
SCHEMBL6342472 0.79 HPGD (0.50) HSD17B10HPGDMAPK1MEN1KMT2A
SCHEMBL6342884 0.79 HPGD (0.47) HSD17B10HPGDMAPK1MEN1KMT2A
SCHEMBL6344986 0.78 ALDH1A1 (0.39) NPSR1HSD17B10HPGDMAPK1MEN1
SCHEMBL6351721 0.76 LMNA (0.52) HSD17B10HPGDMAPK1MEN1KMT2A
SCHEMBL6341041 0.75 CCNA2 (0.40) HSD17B10HPGDMAPK1MEN1KMT2A
Hydrochloric Acid SCHEMBL6353391 0.75 MEN1 (0.40) HSD17B10HPGDMAPK1ADORA3MEN1

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 NPSR1 2927/4885HSD17B10 802/4885HPGD 19/4885

“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.