SCHEMBL3108780

SCHEMBL3108780

Cc1cc(CNc2ncccc2C(=O)Nc2cccc(C(F)(F)F)c2)ccn1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDR P35968 13/20 0.66
RXFP1 Q9HBX9 3/20 0.66
LMNA P02545 2/20 0.66
MEN1 O00255 2/20 0.66
KMT2A Q03164 2/20 0.66
ALDH1A1 P00352 1/20 0.66
MAPT P10636 1/20 0.66
HPGD P15428 1/20 0.66
HTT P42858 1/20 0.66
NPSR1 Q6W5P4 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
FLT1 P17948 2/20 0.58
ABL1 P00519 1/20 0.58
EGFR P00533 1/20 0.58
CSF1R P07333 1/20 0.58
PDGFRB P09619 1/20 0.58
KIT P10721 1/20 0.58
FLT4 P35916 1/20 0.58
POLB P06746 1/20 0.55

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
SCHEMBL427615 0.88 KDR (0.84) KDRRXFP1LMNAMEN1KMT2A
Hydrochloric Acid SCHEMBL447740 0.87 KDR (0.83) KDRRXFP1LMNAMEN1KMT2A
SCHEMBL3109871 0.87 RXFP1 (0.81) KDRRXFP1LMNAMEN1KMT2A
SCHEMBL1490851 0.86 KDR (0.61) KDRRXFP1LMNAMEN1KMT2A
SCHEMBL3122487 0.86 RXFP1 (0.71) KDRRXFP1LMNAMEN1KMT2A
Hydrochloric Acid SCHEMBL4405252 0.86 RXFP1 (0.80) KDRRXFP1LMNAMEN1KMT2A
SCHEMBL3106390 0.85 KDR (0.70) KDRRXFP1LMNAMEN1KMT2A
SCHEMBL3110867 0.85 RXFP1 (0.66) KDRRXFP1LMNAMEN1KMT2A
SCHEMBL427746 0.84 RXFP1 (0.65) KDRRXFP1LMNAMEN1KMT2A
SCHEMBL3110637 0.83 KDR (0.66) KDRRXFP1LMNAMEN1KMT2A

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-2168948-A1 2-AMINO-NICOTINAMIDE DERIVATIVES AND THEIR USE AS VEGF-RECEPTOR TYROSINE KINASE INHIBITORS Novartis AG (CH) 2010-03-31 EP claimed
EP-1259487-B1 2-AMINO-NICOTINAMIDE DERIVATIVES AND THEIR USE AS VEGF-RECEPTOR TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2009-12-23 EP claimed
US-6624174-B2 Especially for treating a neoplastic disease, retinopathy or age-related macular degeneration NOVARTIS AG (CH) 2003-09-23 US claimed
US-20030032656-A1 2-Amino-nicotinamide derivatives and their use as vegf-receptor tyrosine kinase inhibitors NOVARTIS AG (CH) 2003-02-13 US claimed
EP-2168948-B1 2-AMINO-NICOTINAMIDE DERIVATIVES AND THEIR USE AS VEGF-RECEPTOR TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2014-05-07 EP disclosed
EP-2168948-A1 2-AMINO-NICOTINAMIDE DERIVATIVES AND THEIR USE AS VEGF-RECEPTOR TYROSINE KINASE INHIBITORS Novartis AG (CH) 2010-03-31 EP disclosed
EP-1259487-B1 2-AMINO-NICOTINAMIDE DERIVATIVES AND THEIR USE AS VEGF-RECEPTOR TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2009-12-23 EP disclosed
US-20080085902-A1 Combination Of A Vegf Receptor Inhibitor Or With A Chemotherapeutic Agent BOLD GUIDO 2008-04-10 US disclosed
US-20030032656-A1 2-Amino-nicotinamide derivatives and their use as vegf-receptor tyrosine kinase inhibitors NOVARTIS AG (CH) 2003-02-13 US 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-20080085902-A1 Combination Of A Vegf Receptor Inhibitor Or With A Chemotherapeutic Agent VEGFA, FLT1, FLT4 KDR 4/4885RXFP1 693/4885LMNA 4342/4885
US-20030032656-A1 2-Amino-nicotinamide derivatives and their use as vegf-receptor tyrosine kinase inhibitors KDR, ERBB2, FLT1 KDR 1/4885RXFP1 957/4885LMNA 4014/4885

“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.