SCHEMBL2201006

SCHEMBL2201006

c1ccc2c(Nc3ccc4c(c3)CCC4)ncc(Sc3ccncc3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.44
LCK P06239 2/20 0.42
RAB9A P51151 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
NPC1 O15118 4/20 0.40
TP53 P04637 2/20 0.40
HTT P42858 2/20 0.40
CYP26A1 O43174 1/20 0.39
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
RAPGEF4 Q8WZA2 1/20 0.35
MAPK1 P28482 1/20 0.35
MMP13 P45452 1/20 0.35
STK17B O94768 1/20 0.34
STK17A Q9UEE5 1/20 0.34
WEE1 P30291 1/20 0.34
GAA P10253 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
SCHEMBL2203950 0.79 FLT1 (0.43) EGFRLCKRAB9ASMN1; SMN2NPC1
SCHEMBL2199066 0.78 KDR (0.50) EGFRRAB9ANPC1TP53HTT
SCHEMBL2199656 0.76 RIPK2 (0.47) EGFRSYK
SCHEMBL13955491 0.76 GCK (0.37) RAB9ANPC1MEN1KMT2A
SCHEMBL13955586 0.75 KDR (0.52) SMN1; SMN2GAA
SCHEMBL7832906 0.71 EGFR (0.59) EGFRLCKRAB9ASMN1; SMN2CYP26A1
SCHEMBL6506466 0.70 KDR (0.67) EGFR
Hydrochloric Acid SCHEMBL7836113 0.70 EGFR (0.57) EGFRLCKRAB9ASMN1; SMN2HTT
SCHEMBL8810023 0.70 CYP26A1 (0.53) EGFRLCKRAB9ASMN1; SMN2NPC1
SCHEMBL6495541 0.67 FLT1 (0.46) EGFRLCKSMN1; SMN2CYP26A1MEN1

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 EGFR 421/4885LCK 1545/4885RAB9A 3632/4885
US-20110263597-A1 SUBSTITUTED PYRIDINES AND PYRIDAZINES WITH ANGIOGENESIS INHIBITING ACTIVITY VEGFA, PGF, FLT1 EGFR 595/4885LCK 1350/4885RAB9A 3677/4885
US-20100113452-A1 COMPOUNDS FOR TREATING PULMONARY HYPERTENSION PTGIR, PTGIS, EDNRB EGFR 2845/4885LCK 3076/4885RAB9A 3050/4885

“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.