SCHEMBL801649

SCHEMBL801649

CC(C)Nc1nc(C(C)C)cc2cnccc12

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LATS1 O95835 9/20 0.50
LATS2 Q9NRM7 7/20 0.50
PRKCH P24723 6/20 0.42
PRKCE Q02156 5/20 0.42
PRKCQ Q04759 5/20 0.42
PRKCD Q05655 5/20 0.42
PRKCB P05771 3/20 0.42
PRKCA P17252 3/20 0.42
CYP1A2 P05177 1/20 0.42
HIPK2 Q9H2X6 1/20 0.37
ROCK2 O75116 2/20 0.36
ROCK1 Q13464 2/20 0.36
PKN1 Q16512 2/20 0.36
PKN2 Q16513 2/20 0.36
AOC1 P19801 2/20 0.36
AOC3 Q16853 2/20 0.36
LMNA P02545 1/20 0.36
PRKD1 Q15139 1/20 0.36
APP P05067 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
SCHEMBL802013 0.88 LATS1 (0.47) LATS1LATS2HIPK2AOC1AOC3
SCHEMBL13962770 0.86 LATS1 (0.44) LATS1LATS2PRKCHPRKCEPRKCQ
SCHEMBL12653339 0.83 LATS1 (0.51) LATS1LATS2PRKCHPRKCEPRKCQ
SCHEMBL801633 0.79 BTK (0.51) LMNAAPP
SCHEMBL25234270 0.78 LATS1 (0.47) LATS1LATS2PRKCHPRKCEPRKCQ
SCHEMBL30460966 0.78 LATS1 (0.47) LATS1LATS2PRKCHPRKCEPRKCQ
SCHEMBL802011 0.74 LATS1 (0.50) LATS1LATS2HIPK2AOC1AOC3
SCHEMBL30451161 0.74 LATS1 (0.35) LATS1LATS2PRKCHHIPK2APP
SCHEMBL801807 0.72 HIPK2 (0.45) LATS1LATS2PRKCHPRKCEPRKCQ
SCHEMBL802016 0.72 LMNA (0.35) LMNA

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 9 patents. 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-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-7951820-B2 Triazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-05-31 US disclosed
US-20100256170-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-10-07 US disclosed
US-7691853-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-06 US disclosed
US-7473691-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-01-06 US disclosed
US-7390815-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-06-24 US disclosed
US-20070270444-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2007-11-22 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 (3 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-20100256170-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, CDK3, GSK3A LATS1 318/4885LATS2 325/4885PRKCH 304/4885
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, GSK3A, CDK19 LATS1 1086/4885LATS2 1373/4885PRKCH 256/4885
US-20070270444-A1 Pyrazole compounds useful as protein kinase inhibitors GSK3B, CDK3, GSK3A LATS1 318/4885LATS2 325/4885PRKCH 304/4885

“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.