SCHEMBL2201774

SCHEMBL2201774

c1ccc2c(Nc3ccc4ncsc4c3)ncc(Cc3ccncc3)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKD1 Q15139 1/20 0.46
RIPK2 O43353 3/20 0.44
TGFBR1 P36897 1/20 0.44
KDR P35968 11/20 0.42
PDGFRB P09619 10/20 0.42
FLT1 P17948 10/20 0.42
KIT P10721 9/20 0.42
SYK P43405 1/20 0.42
LRRK2 Q5S007 1/20 0.41
RIPK3 Q9Y572 2/20 0.41
CIT O14578 1/20 0.39
EGFR P00533 1/20 0.39
HLA-A P04439 1/20 0.39
CSF1R P07333 1/20 0.39
RET P07949 1/20 0.39
PDGFRA P16234 1/20 0.39
RPS6KB1 P23443 1/20 0.39
FLT4 P35916 1/20 0.39
FRK P42685 1/20 0.39
CDK8 P49336 1/20 0.39

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
SCHEMBL6598802 0.83 FLT1 (0.64) KDRPDGFRBFLT1KITCIT
SCHEMBL13955587 0.80 FLT1 (0.46) KDRPDGFRBFLT1KITCIT
SCHEMBL2199656 0.80 RIPK2 (0.47) PRKD1RIPK2TGFBR1KDRPDGFRB
SCHEMBL3152355 0.79 FLT1 (0.64) KDRPDGFRBFLT1KITCIT
SCHEMBL13955450 0.79 FLT1 (0.48) KDRPDGFRBFLT1KITCIT
SCHEMBL2201541 0.77 FLT1 (0.64) KDRPDGFRBFLT1KITCIT
SCHEMBL13955486 0.77 FLT1 (0.64) TGFBR1KDRPDGFRBFLT1KIT
SCHEMBL13955448 0.77 FLT1 (0.47) KDRPDGFRBFLT1KITCIT
SCHEMBL13955415 0.77 ABCG2 (0.50) KDRPDGFRBFLT1KITCIT
SCHEMBL2229449 0.76 TGFBR1 (0.56) PRKD1RIPK2TGFBR1KDRPDGFRB

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304406-B2 Compounds for treating pulmonary hypertension BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-11-06 US disclosed
US-8304406-B2 Compounds for treating pulmonary hypertension BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-11-06 US disclosed
US-8304406-B2 Compounds for treating pulmonary hypertension BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-11-06 US disclosed
US-20110263597-A1 SUBSTITUTED PYRIDINES AND PYRIDAZINES WITH ANGIOGENESIS INHIBITING ACTIVITY BAYER HEALTHCARE LLC (US) 2011-10-27 US disclosed
US-20110263597-A1 SUBSTITUTED PYRIDINES AND PYRIDAZINES WITH ANGIOGENESIS INHIBITING ACTIVITY BAYER HEALTHCARE LLC (US) 2011-10-27 US disclosed
US-20110263597-A1 SUBSTITUTED PYRIDINES AND PYRIDAZINES WITH ANGIOGENESIS INHIBITING ACTIVITY BAYER HEALTHCARE LLC (US) 2011-10-27 US disclosed
US-7977333-B2 Hyperpermeability; diabetic retinopathy, ischemic retinal-vein occlusion, prematurity, age-related macular degeneration BAYER HEALTHCARE LLC (US) 2011-07-12 US disclosed
US-7977333-B2 Hyperpermeability; diabetic retinopathy, ischemic retinal-vein occlusion, prematurity, age-related macular degeneration BAYER HEALTHCARE LLC (US) 2011-07-12 US disclosed
US-7977333-B2 Hyperpermeability; diabetic retinopathy, ischemic retinal-vein occlusion, prematurity, age-related macular degeneration BAYER HEALTHCARE LLC (US) 2011-07-12 US disclosed
US-20100113452-A1 COMPOUNDS FOR TREATING PULMONARY HYPERTENSION BAYER HEALTHCARE AG (DE) 2010-05-06 US disclosed
US-20100113452-A1 COMPOUNDS FOR TREATING PULMONARY HYPERTENSION BAYER HEALTHCARE AG (DE) 2010-05-06 US disclosed
US-20100113452-A1 COMPOUNDS FOR TREATING PULMONARY HYPERTENSION BAYER HEALTHCARE AG (DE) 2010-05-06 US disclosed
EP-1228063-B1 SUBSTITUTED PYRIDINES AND PYRIDAZINES WITH ANGIOGENESIS INHIBITING ACTIVITY BAYER CORP (US) 2009-02-11 EP disclosed
EP-2010173-A1 COMPOUNDS FOR TREATING PULMONARY HYPERTENSION Bayer HealthCare AG (DE) 2009-01-07 EP disclosed
WO-2007118602-A1 COMPOUNDS FOR TREATING PULMONARY HYPERTENSION BAYER HEALTHCARE AG (DE) 2007-10-25 WO disclosed
WO-2007118602-A1 COMPOUNDS FOR TREATING PULMONARY HYPERTENSION BAYER HEALTHCARE AG (DE) 2007-10-25 WO disclosed
US-20040092740-A1 Substituted pyridines and pyridazines with angiogenesis inhibiting activity BAYER PHARMACEUTICALS CORPORATION 2004-05-13 US disclosed
US-6689883-B1 Substituted pyridines and pyridazines with angiogenesis inhibiting activity BAYER PHARMACEUTICALS CORPORATION 2004-02-10 US disclosed
EP-1228063-A2 SUBSTITUTED PYRIDINES AND PYRIDAZINES WITH ANGIOGENESIS INHIBITING ACTIVITY Bayer Corporation (US) 2002-08-07 EP disclosed
WO-2001023375-A2 SUBSTITUTED PYRIDINES AND PYRIDAZINES WITH ANGIOGENESIS INHIBITING ACTIVITY BAYER CORPORATION (US) 2001-04-05 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 (3 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-20040092740-A1 Substituted pyridines and pyridazines with angiogenesis inhibiting activity VEGFA, PGF, FLT1 PRKD1 2055/4885RIPK2 3487/4885TGFBR1 1026/4885
US-20110263597-A1 SUBSTITUTED PYRIDINES AND PYRIDAZINES WITH ANGIOGENESIS INHIBITING ACTIVITY VEGFA, PGF, FLT1 PRKD1 2525/4885RIPK2 3436/4885TGFBR1 1039/4885
US-20100113452-A1 COMPOUNDS FOR TREATING PULMONARY HYPERTENSION PTGIR, PTGIS, EDNRB PRKD1 1916/4885RIPK2 3482/4885TGFBR1 1107/4885

“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.