SCHEMBL4772061

SCHEMBL4772061

Nc1cc(F)c(Oc2ccnc3[nH]cc(Cl)c23)c(F)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 7/20 0.62
MAP4K1 Q92918 8/20 0.61
TBK1 Q9UHD2 6/20 0.56
CYP3A4 P08684 3/20 0.53
OPRK1 P41145 2/20 0.53
CDC7 O00311 1/20 0.53
CHEK1 O14757 1/20 0.53
AURKA O14965 1/20 0.53
PDPK1 O15530 1/20 0.53
DAPK3 O43293 1/20 0.53
DYRK3 O43781 1/20 0.53
CACNA1F O60840 1/20 0.53
RAF1 P04049 1/20 0.53
ERBB2 P04626 1/20 0.53
NTRK1 P04629 1/20 0.53
INSR P06213 1/20 0.53
CDK1 P06493 1/20 0.53
FES P07332 1/20 0.53
CSF1R P07333 1/20 0.53
LYN P07948 1/20 0.53

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
SCHEMBL4768031 0.86 TRPA1 (0.55) ROCK2MAP4K1TBK1CYP3A4OPRK1
SCHEMBL29837311 0.86 TRPA1 (0.55) ROCK2MAP4K1TBK1CYP3A4OPRK1
SCHEMBL4768178 0.85 TBK1 (0.52) ROCK2MAP4K1TBK1CYP3A4OPRK1
SCHEMBL4768216 0.85 ROCK2 (0.69) ROCK2MAP4K1TBK1CYP3A4OPRK1
SCHEMBL20588042 0.83 MAP4K1 (0.62) ROCK2MAP4K1TBK1CYP3A4OPRK1
SCHEMBL8282644 0.82 ROCK2 (0.78) ROCK2MAP4K1TBK1CYP3A4OPRK1
SCHEMBL25289025 0.82 ROCK2 (0.52) ROCK2MAP4K1TBK1CYP3A4OPRK1
SCHEMBL29837317 0.82 ROCK2 (0.52) ROCK2MAP4K1TBK1CYP3A4OPRK1
SCHEMBL4772512 0.81 ROCK2 (0.71) ROCK2MAP4K1TBK1CYP3A4OPRK1
SCHEMBL5092213 0.81 ROCK2 (0.57) ROCK2MAP4K1TBK1CYP3A4OPRK1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3638669-A1 SUBSTITUTED PYRROLOPYRIDINE-DERIVATIVES Bayer Pharma Aktiengesellschaft (DE) 2020-04-22 EP disclosed
WO-2018228920-A1 SUBSTITUTED PYRROLOPYRIDINE-DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-12-20 WO 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
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-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
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-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
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 ROCK2 3914/4885MAP4K1 1722/4885TBK1 1492/4885
US-20080139595-A1 Hetaryloxy-Substituted Phenylamino Pyrimidines as Rho Kinase Inhibitors TNK2, ROCK1, ROCK2 ROCK2 3/4885MAP4K1 57/4885TBK1 1672/4885

“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.