SCHEMBL10198534

SCHEMBL10198534

NCc1cccc(NC(=O)c2cccc(CNC(=O)Nc3ccc(N)cc3)c2)c1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 8/20 0.68
PKN2 Q16513 2/20 0.53
PRKCE Q02156 1/20 0.53
PRKG1 Q13976 1/20 0.53
CYP3A4 P08684 1/20 0.50
CYP2C19 P33261 1/20 0.50
NAMPT P43490 4/20 0.49
AURKA O14965 3/20 0.49
AURKB Q96GD4 3/20 0.49
HPSE Q9Y251 1/20 0.49

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
SCHEMBL10195845 0.94 ROCK2 (0.76) ROCK2PKN2PRKCEPRKG1CYP3A4
SCHEMBL306579 0.87 ROCK2 (0.90) ROCK2PKN2PRKCEPRKG1CYP3A4
SCHEMBL10196146 0.87 ROCK2 (0.76) ROCK2PKN2PRKCEPRKG1CYP3A4
SCHEMBL15653197 0.87 PTGS1 (0.59) ROCK2
SCHEMBL28156241 0.83 MAPT (0.59) AURKBHPSE
SCHEMBL319411 0.82 ROCK2 (0.82) ROCK2PKN2PRKCEPRKG1CYP3A4
SCHEMBL3651780 0.82 ROCK2 (0.62) ROCK2PKN2PRKCEPRKG1NAMPT
SCHEMBL28956237 0.81 KMT2A (0.57) AURKBHPSE
SCHEMBL307067 0.81 ROCK2 (1.00) ROCK2PKN2PRKCEPRKG1CYP3A4
SCHEMBL15650701 0.80 PTGS1 (0.60) ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093266-B2 Rho kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-10 US disclosed
US-20100041645-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-18 US disclosed
WO-2008086047-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-17 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 (1 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-20100041645-A1 RHO KINASE INHIBITORS CIT, ROCK1, RHOT2 ROCK2 4/4885PKN2 332/4885PRKCE 116/4885

“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.