SCHEMBL4771027

SCHEMBL4771027

CC(=O)Nc1ccc(Oc2ccnc3c2c(Br)cn3S(=O)(=O)c2ccc(C)cc2)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MET P08581 13/20 0.44
PLA2G7 Q13093 1/20 0.39
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 2/20 0.39
LMNA P02545 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
AXL P30530 1/20 0.39
RAF1 P04049 1/20 0.38
IDO1 P14902 1/20 0.38
USP2 O75604 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
SCHEMBL4766821 0.91 MET (0.45) METPLA2G7ALDH1A1MEN1LMNA
SCHEMBL4765210 0.91 ALDH1A1 (0.38) METALDH1A1MEN1LMNAKMT2A
SCHEMBL4765274 0.89 MET (0.45) METPLA2G7ALDH1A1MEN1LMNA
SCHEMBL4772129 0.88 MET (0.42) METPLA2G7ALDH1A1MEN1LMNA
SCHEMBL4765467 0.88 MET (0.42) METPLA2G7ALDH1A1MEN1LMNA
SCHEMBL4768368 0.88 MET (0.42) METPLA2G7ALDH1A1MEN1LMNA
SCHEMBL4774765 0.87 MET (0.43) METPLA2G7AXL
SCHEMBL20659220 0.86 ROCK2 (0.35) METALDH1A1MEN1LMNAKMT2A
SCHEMBL4774406 0.84 MET (0.41) METMEN1KMT2ASMN1; SMN2AXL
SCHEMBL4765507 0.83 MET (0.47) METALDH1A1MEN1LMNAKMT2A

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 16 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-1709043-B1 PYRROLOPYRIDINE-SUBSTITUTED BENZOL DERIVATIVES FOR TREATING CARDIOVASCULAR DISEASES BAYER HEALTHCARE AG (DE) 2008-12-03 EP disclosed
US-20080249105-A1 Pyrrolopyridine-Substituted Benzol Derivatives for Treating Cardiovascular Diseases BAYER HEALTHCARE AG (DE) 2008-10-09 US disclosed
US-20080249105-A1 Pyrrolopyridine-Substituted Benzol Derivatives for Treating Cardiovascular Diseases BAYER HEALTHCARE AG (DE) 2008-10-09 US disclosed
US-20080249105-A1 Pyrrolopyridine-Substituted Benzol Derivatives for Treating Cardiovascular Diseases BAYER HEALTHCARE AG (DE) 2008-10-09 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
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
EP-1709043-A1 PYRROLOPYRIDINE-SUBSTITUTED BENZOL DERIVATIVES FOR TREATING CARDIOVASCULAR DISEASES Bayer HealthCare AG (DE) 2006-10-11 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
WO-2005058891-A1 PYRROLOPYRIDINE-SUBSTITUTED BENZOL DERIVATIVES FOR TREATING CARDIOVASCULAR DISEASES BAYER HEALTHCARE AG (DE) 2005-06-30 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 (2 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-20080249105-A1 Pyrrolopyridine-Substituted Benzol Derivatives for Treating Cardiovascular Diseases PHB2, PHB1, TNNT2 MET 4445/4885PLA2G7 1496/4885ALDH1A1 1142/4885
US-20080139595-A1 Hetaryloxy-Substituted Phenylamino Pyrimidines as Rho Kinase Inhibitors TNK2, ROCK1, ROCK2 MET 1524/4885PLA2G7 303/4885ALDH1A1 3753/4885

“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.