SCHEMBL4767990

SCHEMBL4767990

C[Si](C)(C)CCOCn1cc(Br)c2c(Oc3c(F)cc(NC(=O)C(F)(F)F)cc3F)ccnc21

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.35
OPRK1 P41145 1/20 0.35
MET P08581 2/20 0.34
DGAT1 O75907 4/20 0.34
TBK1 Q9UHD2 8/20 0.34
MAP4K1 Q92918 5/20 0.33
BRAF P15056 1/20 0.32
RIPK2 O43353 1/20 0.31
AXL P30530 1/20 0.30
TYRO3 Q06418 1/20 0.30
MERTK Q12866 1/20 0.30

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
SCHEMBL20588354 0.92 TBK1 (0.36) ROCK2OPRK1METDGAT1TBK1
SCHEMBL20587966 0.91 TBK1 (0.35) ROCK2OPRK1METDGAT1TBK1
SCHEMBL29821889 0.91 TBK1 (0.35) ROCK2OPRK1METDGAT1TBK1
SCHEMBL29821587 0.90 ROCK2 (0.36) ROCK2OPRK1METDGAT1TBK1
SCHEMBL20588769 0.87 ROCK2 (0.34) ROCK2OPRK1METDGAT1TBK1
SCHEMBL20588595 0.87 MAP4K1 (0.34) ROCK2OPRK1METDGAT1TBK1
SCHEMBL20587523 0.87 MAP4K1 (0.35) ROCK2OPRK1METTBK1MAP4K1
SCHEMBL20588679 0.87 MET (0.35) ROCK2OPRK1METTBK1MAP4K1
SCHEMBL29821577 0.86 KIT (0.36) ROCK2OPRK1METDGAT1TBK1
SCHEMBL20587612 0.85 ROCK2 (0.33) ROCK2OPRK1METTBK1MAP4K1

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 7 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
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
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

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 3/4885OPRK1 2318/4885MET 1524/4885

“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.