SCHEMBL10198173

SCHEMBL10198173

Nc1ccc(NC(=O)NCc2cccc(NC(=O)CCC3CCCNC3)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 6/20 0.61
PKN2 Q16513 2/20 0.58
JAK3 P52333 1/20 0.48
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LDLR P01130 1/20 0.44
NCOA1 Q15788 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.44
AURKA O14965 2/20 0.42
AURKB Q96GD4 2/20 0.42
RPS6KB1 P23443 1/20 0.42
NAMPT P43490 1/20 0.42
ACP1 P24666 1/20 0.41

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
SCHEMBL306941 0.89 ROCK2 (0.73) ROCK2PKN2JAK3KMT2ACYP3A4
SCHEMBL10195556 0.84 ROCK2 (0.81) ROCK2PKN2JAK3CYP3A4CYP2C19
SCHEMBL14135085 0.80 ROCK2 (0.80) ROCK2PKN2JAK3CYP3A4CYP2C19
SCHEMBL306802 0.77 ROCK2 (0.61) ROCK2PKN2KMT2AMEN1ALDH1A1
SCHEMBL4750144 0.77 LDLR (0.47) ROCK2KMT2AALDH1A1LDLR
SCHEMBL6508976 0.77 KMT2A (0.67) ROCK2JAK3KMT2AMEN1ALDH1A1
SCHEMBL4746331 0.76 HDAC3 (0.54) ROCK2KMT2AMEN1ALDH1A1CYP1A2
SCHEMBL307799 0.76 ROCK2 (1.00) ROCK2PKN2ALDH1A1CYP3A4NCOA1
SCHEMBL307461 0.74 ROCK2 (0.86) ROCK2PKN2KMT2AMEN1ALDH1A1
SCHEMBL306202 0.74 ROCK2 (1.00) ROCK2PKN2KMT2AMEN1ALDH1A1

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 332/4885JAK3 1090/4885

“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.