SCHEMBL4774368

SCHEMBL4774368

COCCc1c[nH]c2nccc(Oc3ccc(-c4c(N)nc(N)nc4C(F)(F)F)cc3F)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 10/20 0.47
CYP3A4 P08684 4/20 0.42
CCNT1 O60563 1/20 0.37
CDK9 P50750 1/20 0.37
CDK5 Q00535 1/20 0.37
CDK5R1 Q15078 1/20 0.37
MET P08581 4/20 0.36
TRPA1 O75762 1/20 0.36
CDC7 O00311 1/20 0.36
CHEK1 O14757 1/20 0.36
AURKA O14965 1/20 0.36
PDPK1 O15530 1/20 0.36
DAPK3 O43293 1/20 0.36
DYRK3 O43781 1/20 0.36
CACNA1F O60840 1/20 0.36
RAF1 P04049 1/20 0.36
ERBB2 P04626 1/20 0.36
NTRK1 P04629 1/20 0.36
INSR P06213 1/20 0.36
CDK1 P06493 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
SCHEMBL4775724 0.91 ROCK2 (0.57) ROCK2CYP3A4CCNT1CDK9CDK5
SCHEMBL4765301 0.86 ROCK2 (0.57) ROCK2CYP3A4METTRPA1CDC7
SCHEMBL4770061 0.85 ROCK2 (0.53) ROCK2CYP3A4METTRPA1CDC7
SCHEMBL4768374 0.82 ROCK2 (0.42) ROCK2CYP3A4METCDC7CHEK1
SCHEMBL4775300 0.79 ROCK2 (0.49) ROCK2CYP3A4CCNT1CDK9CDK5
SCHEMBL8283435 0.78 ROCK2 (0.64) ROCK2CYP3A4METCDC7CHEK1
SCHEMBL5097084 0.77 ROCK2 (0.58) ROCK2CYP3A4METTRPA1CDC7
SCHEMBL4765307 0.75 ROCK2 (0.63) ROCK2CYP3A4METCDC7CHEK1
SCHEMBL4772585 0.75 ROCK2 (0.49) ROCK2CYP3A4METCDC7CHEK1
SCHEMBL2882169 0.72 ROCK2 (0.57) ROCK2CYP3A4METTRPA1CDC7

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-8329716-B2 e.g. N4-{3-Fluoro-4-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl}pyrimidine-2,4-diamine; cardiovascular disorders; lower the blood pressure, increase coronary-perfusion, relax vessels; antitumor agent, metastasis; side effect reduction BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-12-11 US disclosed
EP-1751153-B1 HETARYLOXY-SUBSTITUTED PHENYLAMINO PYRIMIDINES AS RHO KINASE INHIBITORS BAYER HEALTHCARE AG (DE) 2008-12-03 EP disclosed
US-20080139595-A1 Hetaryloxy-Substituted Phenylamino Pyrimidines as Rho Kinase Inhibitors BAYER HEALTHCARE AG (DE) 2008-06-12 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 (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-20080139595-A1 Hetaryloxy-Substituted Phenylamino Pyrimidines as Rho Kinase Inhibitors TNK2, ROCK1, ROCK2 ROCK2 3/4885CYP3A4 1539/4885CCNT1 1708/4885

“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.