SCHEMBL786180

SCHEMBL786180

Cc1nc(-c2ccc(Cl)cc2Cl)nc(Nc2n[nH]c3ccccc23)c1C

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 4/20 0.49
TRPA1 O75762 2/20 0.49
PAK4 O96013 6/20 0.41
MAPK10 P53779 3/20 0.39
MAPK8 P45983 2/20 0.39
GRM4 Q14833 2/20 0.38
EGFR P00533 3/20 0.37

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
SCHEMBL786350 0.89 TRPA1 (0.47) FADS1TRPA1EGFR
SCHEMBL786578 0.79 FADS1 (0.49) FADS1EGFR
SCHEMBL802318 0.79 TRPA1 (0.54) FADS1TRPA1PAK4GRM4EGFR
SCHEMBL801456 0.78 TRPA1 (0.52) FADS1TRPA1PAK4GRM4EGFR
SCHEMBL13107247 0.78 TRPA1 (0.45) FADS1TRPA1EGFR
SCHEMBL13357344 0.77 CYP1A2 (0.50) FADS1TRPA1MAPK10MAPK8
SCHEMBL786785 0.77 CYP1A2 (0.48)
SCHEMBL13300166 0.76 MAPK10 (0.43) FADS1TRPA1PAK4MAPK10MAPK8
SCHEMBL15427399 0.75 TRPA1 (0.43) FADS1TRPA1MAPK10EGFR
SCHEMBL12303152 0.75 CYP1A2 (0.44)

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 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8633210-B2 Triazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-21 US disclosed
US-8633210-B2 Triazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-21 US disclosed
US-8633210-B2 Triazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-21 US disclosed
US-8524720-B2 Substituted N-(pyrazol-5-yl)-pyrrolo[3,2-D]pyrimidin-4-amine useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-03 US disclosed
US-8524720-B2 Substituted N-(pyrazol-5-yl)-pyrrolo[3,2-D]pyrimidin-4-amine useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-03 US disclosed
US-8524720-B2 Substituted N-(pyrazol-5-yl)-pyrrolo[3,2-D]pyrimidin-4-amine useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-03 US disclosed
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-22 US disclosed
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-22 US disclosed
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-22 US disclosed
US-7951820-B2 Triazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-05-31 US disclosed
US-6660731-B2 Alzheimer's disease; anticancer agents; antidiabetic agents VERTEX PHARMACEUTICALS INCORPORATED 2003-12-09 US disclosed
US-6638926-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-10-28 US disclosed
US-6613776-B2 Protein serine/threonine kinase inhibitors used for treating diseases such as cancer, diabetes and Alzheimer's disease VERTEX PHARMACEUTICALS INCORPORATED 2003-09-02 US disclosed
US-6610677-B2 Enhancing glycogen synthesis, lowering blood levels of glucose, treating colon, ovarian, or breast cancer, treating diabetes, treating schizophrenia VERTEX PHARMACEUTICALS INCORPORATED 2003-08-26 US disclosed
US-20030083327-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-05-01 US disclosed
US-20030078166-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-04-24 US disclosed
US-20030073687-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-04-17 US disclosed
US-20030064981-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-04-03 US disclosed
US-20030064982-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-04-03 US disclosed
US-20030055044-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-03-20 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 (7 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-20030064981-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3A FADS1 3865/4885TRPA1 4610/4885PAK4 720/4885
US-20030064982-A1 Pyrazole compounds useful as protein kinase inhibitors MAP3K20, CDK2, MAP2K2 FADS1 3670/4885TRPA1 4648/4885PAK4 324/4885
US-20030083327-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B FADS1 4184/4885TRPA1 4718/4885PAK4 734/4885
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, GSK3A, CDK19 FADS1 3442/4885TRPA1 4786/4885PAK4 973/4885
US-20030055044-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B FADS1 3461/4885TRPA1 4588/4885PAK4 466/4885
US-20030073687-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B FADS1 1278/4885TRPA1 4255/4885PAK4 412/4885
US-20030078166-A1 Pyrazole compounds useful as protein kinase inhibitors GSK3B, GSK3A, GSKIP FADS1 2702/4885TRPA1 4664/4885PAK4 235/4885

“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.