SCHEMBL8265307

SCHEMBL8265307

Cc1nc2c(C)cc(C(F)(F)F)cc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
GAA P10253 1/20 0.50
HSD17B10 Q99714 1/20 0.50
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.44
CACNA1H O95180 10/20 0.44
CACNA1C Q13936 3/20 0.44
CACNA1B Q00975 3/20 0.44
CACNA1G O43497 3/20 0.43
RIPK1 Q13546 1/20 0.40
NPBWR1 P48145 1/20 0.39
PARP1 P09874 1/20 0.39

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
SCHEMBL8264508 0.86 CACNA1H (0.60) CACNA1HCACNA1CCACNA1BCACNA1G
SCHEMBL8264541 0.84 HTT (0.62) MAPTGAAHSD17B10KDM4EPOLB
SCHEMBL11810412 0.84 CACNA1H (0.43) MAPTGAAHSD17B10KDM4EPOLB
SCHEMBL8305457 0.84 MAPT (0.43) MAPTGAAHSD17B10KDM4EPOLB
SCHEMBL12252322 0.84 RIPK1 (0.57) MAPTGAAHSD17B10KDM4EPOLB
SCHEMBL10146528 0.76 PARP1 (0.56) MAPTGAAHSD17B10HTTPARP1
SCHEMBL1285737 0.73 HTT (0.47) GAAHTTPARP1
SCHEMBL1144583 0.73 SMN1; SMN2 (0.50) MAPTGAAHSD17B10HTTPARP1
SCHEMBL1285878 0.73 RPS6KA3 (0.58) MAPTGAAHSD17B10KDM4EPOLB
SCHEMBL30888946 0.73 SMN1; SMN2 (0.50) MAPTGAAHSD17B10HTTPARP1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11040966-B2 Benzimidazole-proline derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2021-06-22 US disclosed
US-20190263797-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2019-08-29 US disclosed
US-20170305897-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2017-10-26 US disclosed
US-9732075-B2 Benzimidazole-proline derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2017-08-15 US disclosed
US-20150166527-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2015-06-18 US disclosed
WO-2006070192-A1 THIAZOLE AND ISOTHIAZOLE DERIVATIVES THAT MODULATE THE ACIVITY OF CDK, GSK AND AURORA KYNASES ASTEX THERAPEUTICS LIMITED (GB) 2006-07-06 WO 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 (4 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-20150166527-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES HCRTR1, HCRTR2, NPY1R MAPT 1817/4885GAA 2439/4885HSD17B10 3212/4885
US-11040966-B2 Benzimidazole-proline derivatives HCRTR1, HCRTR2, NPY1R MAPT 1824/4885GAA 2500/4885HSD17B10 3219/4885
US-20190263797-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES HCRTR1, HCRTR2, NPY1R MAPT 1824/4885GAA 2500/4885HSD17B10 3219/4885
US-20170305897-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES HCRTR1, HCRTR2, NPY1R MAPT 1824/4885GAA 2500/4885HSD17B10 3219/4885

“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.