SCHEMBL6344986

SCHEMBL6344986

Cc1nn(-c2nccs2)c2[nH]c3ccccc3c(=O)c12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 3/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
G6PD P11413 1/20 0.39
PKM P14618 1/20 0.39
MPI P34949 1/20 0.39
EP300 Q09472 1/20 0.39
KAT2A Q92830 1/20 0.39
KAT2B Q92831 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HPGD P15428 2/20 0.38
MAPK1 P28482 1/20 0.38
SLC11A2 P49281 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PARP1 P09874 1/20 0.37
RGS12 O14924 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
SCHEMBL6342517 0.82 HPGD (0.42) ALDH1A1KDM4EGAAPKMHPGD
SCHEMBL6339985 0.80 L3MBTL1 (0.43) ALDH1A1MAPTTDP1HPGDMAPK1
SCHEMBL6342472 0.78 HPGD (0.50) ALDH1A1KDM4EHPGDMAPK1MEN1
SCHEMBL6341306 0.78 NPSR1 (0.43) ALDH1A1KDM4EHPGDMAPK1MEN1
SCHEMBL6342884 0.75 HPGD (0.47) ALDH1A1KDM4EHPGDMAPK1MEN1
SCHEMBL6351721 0.75 LMNA (0.52) ALDH1A1KDM4EPKMHPGDMAPK1
Hydrochloric Acid SCHEMBL6353391 0.74 MEN1 (0.40) ALDH1A1KDM4EPKMHPGDMAPK1
SCHEMBL6341041 0.74 CCNA2 (0.40) GAAHPGDMAPK1MEN1KMT2A
SCHEMBL6344220 0.74 MEN1 (0.40) ALDH1A1KDM4EPKMHPGDMAPK1
SCHEMBL6349093 0.73 RAB9A (0.39) ALDH1A1KDM4EPKMHPGDMAPK1

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 ALDH1A1 1061/4885KDM4E 1741/4885GAA 4025/4885

“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.