SCHEMBL2199656

SCHEMBL2199656

c1ccc2c(Nc3ccc4ncsc4c3)ncc(Sc3ccncc3)c2c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 6/20 0.47
PRKD1 Q15139 1/20 0.46
TGFBR1 P36897 1/20 0.45
LRRK2 Q5S007 1/20 0.44
SYK P43405 2/20 0.43
RIPK3 Q9Y572 2/20 0.41
GFER P55789 1/20 0.39
IKBKB O14920 3/20 0.39
EGFR P00533 1/20 0.38
PDE4B Q07343 1/20 0.37
KDR P35968 2/20 0.37
RIPK1 Q13546 1/20 0.37
INSR P06213 1/20 0.37
CSF1R P07333 1/20 0.37
PDGFRB P09619 1/20 0.37
PDGFRA P16234 1/20 0.37
TEK Q02763 1/20 0.37

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
SCHEMBL2201774 0.80 PRKD1 (0.46) RIPK2PRKD1TGFBR1LRRK2SYK
SCHEMBL2229449 0.77 TGFBR1 (0.56) RIPK2PRKD1TGFBR1LRRK2SYK
SCHEMBL2199066 0.77 KDR (0.50) EGFRKDRCSF1RPDGFRBPDGFRA
SCHEMBL2201006 0.76 EGFR (0.44) SYKEGFR
SCHEMBL13955491 0.74 GCK (0.37) KDRPDGFRB
SCHEMBL13955586 0.74 KDR (0.52) KDRPDGFRB
SCHEMBL6598802 0.73 FLT1 (0.64) EGFRKDRCSF1RPDGFRBPDGFRA
SCHEMBL22201284 0.73 ABCG2 (0.54) PRKD1TGFBR1
SCHEMBL2197137 0.71 TGFBR1 (0.50) RIPK2PRKD1TGFBR1LRRK2SYK
SCHEMBL22201431 0.70 PRKD1 (0.54) RIPK2PRKD1TGFBR1LRRK2

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 19 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
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 RIPK2 3487/4885PRKD1 2055/4885TGFBR1 1026/4885
US-20110263597-A1 SUBSTITUTED PYRIDINES AND PYRIDAZINES WITH ANGIOGENESIS INHIBITING ACTIVITY VEGFA, PGF, FLT1 RIPK2 3436/4885PRKD1 2525/4885TGFBR1 1039/4885
US-20100113452-A1 COMPOUNDS FOR TREATING PULMONARY HYPERTENSION PTGIR, PTGIS, EDNRB RIPK2 3482/4885PRKD1 1916/4885TGFBR1 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.