SCHEMBL3108804

SCHEMBL3108804

Cc1c(NC(=O)c2cccnc2NCc2ccncc2)cccc1C(F)(F)F

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 18/20 0.65
DHODH Q02127 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
ABL1 P00519 2/20 0.50
EGFR P00533 2/20 0.50
CSF1R P07333 2/20 0.50
PDGFRB P09619 2/20 0.50
KIT P10721 2/20 0.50
FLT1 P17948 2/20 0.50
FLT4 P35916 2/20 0.50
ABCB1 P08183 1/20 0.49
CIT O14578 1/20 0.49
MAP3K7 O43318 1/20 0.49
RIPK2 O43353 1/20 0.49
STK10 O94804 1/20 0.49
MAP4K4 O95819 1/20 0.49
RAF1 P04049 1/20 0.49
LCK P06239 1/20 0.49
FYN P06241 1/20 0.49
YES1 P07947 1/20 0.49

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
SCHEMBL3106416 0.89 KDR (0.66) KDRABL1EGFRCSF1RPDGFRB
SCHEMBL446392 0.85 KDR (0.66) KDRABL1EGFRCSF1RPDGFRB
SCHEMBL3110860 0.85 DHODH (0.50) KDRDHODHHDAC6
SCHEMBL3119042 0.84 DHODH (0.49) KDRDHODHHDAC6LCK
SCHEMBL7077679 0.81 DHODH (0.50) KDRDHODHHDAC6LCK
SCHEMBL3118072 0.81 KDR (0.73) KDRABL1EGFRCSF1RPDGFRB
SCHEMBL3107865 0.80 KDR (0.83) KDRABL1EGFRCSF1RPDGFRB
SCHEMBL427743 0.79 KDR (1.00) KDRABL1EGFRCSF1RPDGFRB
SCHEMBL7128428 0.78 KDR (0.63) KDRABL1CSF1RPDGFRBKIT
SCHEMBL3151267 0.78 KDR (0.64) KDR

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 10 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-6624174-B2 Especially for treating a neoplastic disease, retinopathy or age-related macular degeneration NOVARTIS AG (CH) 2003-09-23 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 4/4885DHODH 929/4885HDAC6 1134/4885
US-20030032656-A1 2-Amino-nicotinamide derivatives and their use as vegf-receptor tyrosine kinase inhibitors KDR, ERBB2, FLT1 KDR 1/4885DHODH 2137/4885HDAC6 1038/4885

“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.