SCHEMBL1490730

SCHEMBL1490730

CNC(=O)Nc1cc(C#N)ccn1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GCK P35557 4/20 0.54
MAP4K1 Q92918 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GRM5 P41594 4/20 0.43
TP53 P04637 1/20 0.41
TYK2 P29597 1/20 0.41
USP30 Q70CQ3 1/20 0.41
GRM4 Q14833 1/20 0.40
BRAF P15056 1/20 0.40
RORC P51449 1/20 0.40
FASN P49327 1/20 0.40

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
SCHEMBL3558994 0.83 L3MBTL1 (0.52) GRM5TYK2RORC
SCHEMBL15205400 0.81 GRM5 (0.44) NPC1RAB9ASMN1; SMN2GRM5TYK2
SCHEMBL19958489 0.79 RORC (0.49) GRM5TYK2USP30GRM4BRAF
SCHEMBL19151107 0.79 TYK2 (0.50) NPC1RAB9ASMN1; SMN2GRM5TYK2
SCHEMBL20909676 0.78 NPC1 (0.63) GCKNPC1RAB9ASMN1; SMN2TP53
SCHEMBL21766656 0.77 NAMPT (0.47) NPC1RAB9ASMN1; SMN2TP53RORC
SCHEMBL3141770 0.77 CDC7 (0.46) SMN1; SMN2TYK2
SCHEMBL31703164 0.76 ALDH1A1 (0.43) SMN1; SMN2GRM5TYK2USP30GRM4
SCHEMBL24931494 0.76 GSK3B (0.46) MAP4K1GRM5TYK2USP30BRAF
SCHEMBL16604288 0.76 RAB9A (0.56) NPC1RAB9ASMN1; SMN2GRM5TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1807416-B1 Nicotinamide pyridinureas as vascular endothelial growth factor (VEGF) receptor kinase inhibitors Bayer Pharma AG (DE) 2012-08-29 EP disclosed
EP-1807416-B1 Nicotinamide pyridinureas as vascular endothelial growth factor (VEGF) receptor kinase inhibitors Bayer Pharma AG (DE) 2012-08-29 EP disclosed
US-7906533-B2 Nicotinamide pyridinureas as vascular endothelial growth factor (VEGF) receptor kinase inhibitors BAYER SCHERING PHARMA AG (DE) 2011-03-15 US disclosed
US-7906533-B2 Nicotinamide pyridinureas as vascular endothelial growth factor (VEGF) receptor kinase inhibitors BAYER SCHERING PHARMA AG (DE) 2011-03-15 US disclosed
US-7906533-B2 Nicotinamide pyridinureas as vascular endothelial growth factor (VEGF) receptor kinase inhibitors BAYER SCHERING PHARMA AG (DE) 2011-03-15 US disclosed
EP-1807416-A1 NICOTINAMIDE PYRIDINUREAS AS VASCULAR ENDOTHELIAL GROWTH FACTOR (VEGF) RECEPTOR KINASE INHIBITORS Bayer Schering Pharma Aktiengesellschaft (DE) 2007-07-18 EP disclosed
US-20060160861-A1 Novel nicotinamide pyridinureas as vascular endothelial growth factor (VEGF) receptor kinase inhibitors BAYER INTELLECTUAL PROPERTY GMBH (DE) 2006-07-20 US disclosed
WO-2006048249-A1 NICOTINAMIDE PYRIDINUREAS AS VASCULAR ENDOTHELIAL GROWTH FACTOR (VEGF) RECEPTOR KINASE INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-05-11 WO disclosed
EP-1655297-A1 Nicotinamide pyridinureas as vascular endothelial growth factor (VEGF) receptor kinase inhibitors SCHERING AKTIENGESELLSCHAFT (DE) 2006-05-10 EP 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 (1 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-20060160861-A1 Novel nicotinamide pyridinureas as vascular endothelial growth factor (VEGF) receptor kinase inhibitors FLT1, KDR, FLT4 GCK 756/4885MAP4K1 193/4885NPC1 3540/4885

“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.