SCHEMBL4775461

SCHEMBL4775461

CCc1c[nH]c2nccc(Oc3ccc(N)cc3F)c12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 8/20 0.60
TRPA1 O75762 4/20 0.58
CYP3A4 P08684 4/20 0.50
MET P08581 7/20 0.48
CDK2 P24941 2/20 0.39
AXL P30530 2/20 0.39
CDC7 O00311 1/20 0.39
CHEK1 O14757 1/20 0.39
AURKA O14965 1/20 0.39
PDPK1 O15530 1/20 0.39
DAPK3 O43293 1/20 0.39
DYRK3 O43781 1/20 0.39
CACNA1F O60840 1/20 0.39
RAF1 P04049 1/20 0.39
ERBB2 P04626 1/20 0.39
NTRK1 P04629 1/20 0.39
INSR P06213 1/20 0.39
CDK1 P06493 1/20 0.39
FES P07332 1/20 0.39
CSF1R P07333 1/20 0.39

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
SCHEMBL4775300 0.88 ROCK2 (0.49) ROCK2TRPA1CYP3A4METCDK2
SCHEMBL14044570 0.88 ROCK2 (0.49) ROCK2TRPA1CYP3A4METCDK2
SCHEMBL4253090 0.86 MET (0.49) ROCK2TRPA1CYP3A4METCDK2
SCHEMBL4252378 0.84 MET (0.47) ROCK2TRPA1CYP3A4METCDK2
SCHEMBL2876582 0.84 ROCK2 (0.67) ROCK2TRPA1CYP3A4METCDK2
SCHEMBL14017284 0.84 MET (0.51) ROCK2TRPA1CYP3A4MET
SCHEMBL23070973 0.82 ROCK2 (0.50) ROCK2TRPA1CYP3A4METCDK2
SCHEMBL4768031 0.82 TRPA1 (0.55) ROCK2TRPA1CYP3A4METCDK2
SCHEMBL29631716 0.82 TRPA1 (0.55) ROCK2TRPA1CYP3A4METCDK2
SCHEMBL29837311 0.82 TRPA1 (0.55) ROCK2TRPA1CYP3A4METCDK2

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 13 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
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
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
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
US-20080139595-A1 Hetaryloxy-Substituted Phenylamino Pyrimidines as Rho Kinase Inhibitors BAYER HEALTHCARE AG (DE) 2008-06-12 US disclosed
US-20080139595-A1 Hetaryloxy-Substituted Phenylamino Pyrimidines as Rho Kinase Inhibitors BAYER HEALTHCARE AG (DE) 2008-06-12 US disclosed
CN-101027305-A Fused heterocyclic kinase inhibitors BRISTOL MYERS SQUIBB CO (US) 2007-08-29 CN disclosed
CN-101005843-A Pyrrolotriazine kinase inhibitors BRISTOL MYERS SQUIBB CO (US) 2007-07-25 CN disclosed
EP-1751153-A1 HETARYLOXY-SUBSTITUTED PHENYLAMINO PYRIMIDINES AS RHO KINASE INHIBITORS Bayer HealthCare AG (DE) 2007-02-14 EP disclosed
WO-2005097790-A1 HETARYLOXY-SUBSTITUTED PHENYLAMINO PYRIMIDINES AS RHO KINASE INHIBITORS BAYER HEALTHCARE AG (DE) 2005-10-20 WO disclosed
WO-2005097790-A1 HETARYLOXY-SUBSTITUTED PHENYLAMINO PYRIMIDINES AS RHO KINASE INHIBITORS BAYER HEALTHCARE AG (DE) 2005-10-20 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-20080139595-A1 Hetaryloxy-Substituted Phenylamino Pyrimidines as Rho Kinase Inhibitors TNK2, ROCK1, ROCK2 ROCK2 3/4885TRPA1 4772/4885CYP3A4 1539/4885

“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.