SCHEMBL4765274

SCHEMBL4765274

CCc1cn(S(=O)(=O)c2ccc(C)cc2)c2nccc(Oc3ccc(NC(C)=O)cc3F)c12

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MET P08581 13/20 0.45
AXL P30530 1/20 0.40
BRD4 O60885 1/20 0.40
HTR6 P50406 3/20 0.39
PLA2G7 Q13093 1/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL4774765 0.93 MET (0.43) METAXLHTR6PLA2G7
SCHEMBL4766821 0.91 MET (0.45) METAXLPLA2G7MEN1ALDH1A1
SCHEMBL4774406 0.90 MET (0.41) METAXLHTR6MEN1KMT2A
SCHEMBL4771027 0.89 MET (0.44) METAXLPLA2G7MEN1ALDH1A1
SCHEMBL4765467 0.87 MET (0.42) METAXLPLA2G7MEN1ALDH1A1
SCHEMBL4768368 0.87 MET (0.42) METAXLPLA2G7MEN1ALDH1A1
SCHEMBL4772129 0.87 MET (0.42) METAXLPLA2G7MEN1ALDH1A1
SCHEMBL13981718 0.83 MET (0.41) METAXLALDH1A1LMNASMN1; SMN2
SCHEMBL4765507 0.83 MET (0.47) METAXLMEN1ALDH1A1LMNA
SCHEMBL4772513 0.82 ALDH1A1 (0.41) METMEN1ALDH1A1LMNAKMT2A

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 9 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
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 MET 1524/4885AXL 1617/4885BRD4 2250/4885

“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.