SCHEMBL3526642

SCHEMBL3526642

Cc1nc(Nc2ccc3[nH]ncc3c2)cc(=O)n1-c1ccc2[nH]ncc2c1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 15/20 0.49
ROCK1 Q13464 8/20 0.47
MAPKAPK2 P49137 1/20 0.46
WEE1 P30291 1/20 0.46
ALK Q9UM73 1/20 0.46
TNIK Q9UKE5 2/20 0.44
EIF2AK2 P19525 1/20 0.43

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
SCHEMBL4462803 0.82 ROCK2 (0.46) ROCK2ROCK1MAPKAPK2WEE1ALK
SCHEMBL4383142 0.72 MAT2A (0.45) ROCK2ROCK1ALK
SCHEMBL16638038 0.70 ROCK2 (0.61) ROCK2ROCK1MAPKAPK2TNIK
SCHEMBL26715276 0.69 MAPKAPK2 (0.71) ROCK2ROCK1MAPKAPK2
SCHEMBL12680064 0.67 MAPKAPK2 (0.52) ROCK2ROCK1MAPKAPK2ALK
SCHEMBL15639981 0.67 KDR (0.55) ROCK2ROCK1MAPKAPK2TNIKEIF2AK2
SCHEMBL22749728 0.67 KDR (0.65) ROCK2ROCK1MAPKAPK2TNIK
SCHEMBL20774620 0.67 ROCK2 (0.79) ROCK2ROCK1
SCHEMBL30611501 0.67 ROCK2 (0.79) ROCK2ROCK1
SCHEMBL30611438 0.66 MKNK1 (0.58) ROCK2ROCK1MAPKAPK2TNIK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7795271-B2 Substituted pyrimidinones PHARMACIA CORPORATION (US) 2010-09-14 US disclosed
US-20090306108-A1 SUBSTITUTED PYRIMIDINONES PFIZER INC 2009-12-10 US disclosed
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES PHARMACIA CORPORATION (US) 2007-07-19 US disclosed
US-7183287-B2 Substituted pyrimidinones PHARMACIA CORPORATION (US) 2007-02-27 US disclosed
US-20040242608-A1 Substituted pyrimidinones PHARMACIA LLC 2004-12-02 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-20090306108-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 ROCK2 443/4885ROCK1 243/4885MAPKAPK2 30/4885
US-20040242608-A1 Substituted pyrimidinones MAPK1, MAPK7, MAP3K8 ROCK2 409/4885ROCK1 192/4885MAPKAPK2 22/4885
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 ROCK2 443/4885ROCK1 243/4885MAPKAPK2 30/4885

“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.