SCHEMBL12020719

SCHEMBL12020719

Cc1nc2ccc(Cl)c(C)c2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
TYMS P04818 3/20 0.44
PARP1 P09874 4/20 0.42
MAPT P10636 2/20 0.40
DAO P14920 1/20 0.37
CSNK2A1 P68400 1/20 0.36
ADORA3 P0DMS8 1/20 0.35
HTT P42858 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
HSP90AA1 P07900 1/20 0.35
ESR2 Q92731 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HSD17B10 Q99714 2/20 0.34
GAA P10253 1/20 0.34
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
HCAR1 Q9BXC0 1/20 0.33

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
SCHEMBL659974 0.84 MAPT (0.40) ALDH1A1TYMSPARP1MAPTDAO
SCHEMBL3421751 0.84 ALDH1A1 (0.47) ALDH1A1TYMSPARP1MAPTCSNK2A1
SCHEMBL24122589 0.81 ALDH1A1 (0.44) ALDH1A1TYMSPARP1MAPTCSNK2A1
SCHEMBL13383928 0.80 ALDH1A1 (0.48) ALDH1A1TYMSPARP1MAPTCSNK2A1
SCHEMBL353027 0.79 ALDH1A1 (0.41) ALDH1A1TYMSPARP1MAPTDAO
SCHEMBL13542739 0.78 KDM4E (0.40) ALDH1A1TYMSMAPTDAOADORA3
SCHEMBL12020724 0.77 ALDH1A1 (0.41) ALDH1A1TYMSPARP1MAPTHSD17B10
SCHEMBL6142611 0.76 ALDH1A1 (0.40) ALDH1A1TYMSPARP1MAPTCSNK2A1
SCHEMBL22011133 0.76 CSNK2A1 (0.39) ALDH1A1TYMSPARP1MAPTCSNK2A1
SCHEMBL9502145 0.76 PARP1 (0.59) ALDH1A1TYMSPARP1TNKS2KDM4E

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 22 patents — showing the first 20. 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
WO-2020099511-A1 BENZIMIDAZOLE-2-METHYL-MORPHOLINE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2020-05-22 WO disclosed
US-20190263797-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2019-08-29 US disclosed
US-10329287-B2 Benzimidazole-proline derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2019-06-25 US disclosed
US-9914721-B2 Use of benzimidazole-proline derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2018-03-13 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
EP-2855453-B1 BENZIMIDAZOLE-PROLINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2016-12-07 EP disclosed
US-20150166527-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2015-06-18 US disclosed
WO-2015083094-A1 USE OF BENZIMIDAZOLE-PROLINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2015-06-11 WO disclosed
US-7691870-B2 Benzimidazole carboxamides as raf kinase inhibitors MERCK PATENT GMBH (DE) 2010-04-06 US disclosed
US-7691870-B2 Benzimidazole carboxamides as raf kinase inhibitors MERCK PATENT GMBH (DE) 2010-04-06 US disclosed
US-7691886-B2 Benzimidazole derivatives as raf kinase inhibitors MERCK PATENT GMBH (DE) 2010-04-06 US disclosed
US-7691886-B2 Benzimidazole derivatives as raf kinase inhibitors MERCK PATENT GMBH (DE) 2010-04-06 US disclosed
US-7652023-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-26 US disclosed
US-20070135467-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed
US-20070093532-A1 Benzimidazole carboxamides as raf kinase inhibitors MERCK PATENT GMBH (DE) 2007-04-26 US disclosed
US-20070093532-A1 Benzimidazole carboxamides as raf kinase inhibitors MERCK PATENT GMBH (DE) 2007-04-26 US disclosed
US-20070010560-A1 angiogenesis, in particular in tumors, restenoses, diabetic retinopathy, macular degenerative disease or rheumatoid arthritis MERCK PATENT GMBH (DE) 2007-01-11 US disclosed
US-20070010560-A1 angiogenesis, in particular in tumors, restenoses, diabetic retinopathy, macular degenerative disease or rheumatoid arthritis MERCK PATENT GMBH (DE) 2007-01-11 US 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 (8 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-20070093532-A1 Benzimidazole carboxamides as raf kinase inhibitors BRAF, RAF1, ARAF ALDH1A1 1318/4885TYMS 909/4885PARP1 1080/4885
US-20150166527-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES HCRTR1, HCRTR2, NPY1R ALDH1A1 519/4885TYMS 3869/4885PARP1 1463/4885
US-20070135467-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 ALDH1A1 2353/4885TYMS 1776/4885PARP1 73/4885
US-20070010560-A1 angiogenesis, in particular in tumors, restenoses, diabetic retinopathy, macular degenerative disease or rheumatoid arthritis BRAF, RAF1, VEGFA ALDH1A1 565/4885TYMS 1431/4885PARP1 1678/4885
US-10329287-B2 Benzimidazole-proline derivatives HCRTR1, HCRTR2, NPY1R ALDH1A1 604/4885TYMS 3884/4885PARP1 1475/4885
US-11040966-B2 Benzimidazole-proline derivatives HCRTR1, HCRTR2, NPY1R ALDH1A1 604/4885TYMS 3884/4885PARP1 1475/4885
US-20190263797-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES HCRTR1, HCRTR2, NPY1R ALDH1A1 604/4885TYMS 3884/4885PARP1 1475/4885
US-20170305897-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES HCRTR1, HCRTR2, NPY1R ALDH1A1 604/4885TYMS 3884/4885PARP1 1475/4885

“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.