SCHEMBL4765187

SCHEMBL4765187

Cc1ccc(S(=O)(=O)n2ccc3c(Oc4ccc(N)cc4F)ccnc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.45
HTR6 P50406 6/20 0.40
MET P08581 5/20 0.38
AXL P30530 3/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 1/20 0.36
SCN9A Q15858 1/20 0.35
PI4KB Q9UBF8 1/20 0.35
RAPGEF4 Q8WZA2 1/20 0.34

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
SCHEMBL2881645 0.85 AXL (0.44) L3MBTL1METAXLMAPTSCN9A
SCHEMBL4765507 0.83 MET (0.47) L3MBTL1METAXLMEN1KMT2A
SCHEMBL31554424 0.79 HTR6 (0.38) HTR6KMT2AMAPTSCN9A
SCHEMBL21593064 0.78 MET (0.40) L3MBTL1METAXLMEN1KMT2A
SCHEMBL1778592 0.78 L3MBTL1 (0.56) L3MBTL1HTR6MAPTRAPGEF4
SCHEMBL20659062 0.76 L3MBTL1 (0.41) L3MBTL1HTR6METMEN1KMT2A
SCHEMBL28735134 0.75 L3MBTL1 (0.59) L3MBTL1HTR6MEN1KMT2AMAPT
SCHEMBL1749202 0.75 L3MBTL1 (0.62) L3MBTL1HTR6MAPTRAPGEF4
SCHEMBL23799314 0.74 MEN1 (0.48) METMEN1KMT2A
SCHEMBL23799313 0.74 MEN1 (0.48) METMEN1KMT2A

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 15 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
EP-1751153-B1 HETARYLOXY-SUBSTITUTED PHENYLAMINO PYRIMIDINES AS RHO KINASE INHIBITORS 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
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 (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 L3MBTL1 2391/4885HTR6 3160/4885MET 4445/4885
US-20080139595-A1 Hetaryloxy-Substituted Phenylamino Pyrimidines as Rho Kinase Inhibitors TNK2, ROCK1, ROCK2 L3MBTL1 3309/4885HTR6 1438/4885MET 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.