SCHEMBL3106983

SCHEMBL3106983

COc1ccc(CNc2ncccc2C(=O)Nc2cc3ccccc3cn2)cn1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDR P35968 13/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
MAPT P10636 3/20 0.46
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
NOTUM Q6P988 1/20 0.41
NAMPT P43490 1/20 0.41
ADORA2A P29274 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41

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
SCHEMBL6543102 0.84 KDR (0.45) KDRKMT2AMEN1MAPT
SCHEMBL446890 0.83 KDR (0.63) KDR
SCHEMBL6542940 0.83 CHEK1 (0.50) KDR
SCHEMBL3119364 0.80 KDR (0.45) KDRKMT2AMEN1MAPT
SCHEMBL1490923 0.79 KIT (0.51) KDR
SCHEMBL6542828 0.79 KDR (0.49) KDRKMT2AMEN1MAPT
SCHEMBL6543388 0.78 KIT (0.48) KDR
SCHEMBL3119415 0.78 NPC1 (0.54) KDRKMT2AMEN1POLBNPC1
SCHEMBL6542861 0.77 KIT (0.49) KDR
SCHEMBL3106478 0.77 RXFP1 (0.61) KDRKMT2AMEN1MAPTALDH1A1

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 12 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
EP-1259487-A1 2-AMINO-NICOTINAMIDE DERIVATIVES AND THEIR USE AS VEGF-RECEPTOR TYROSINE KINASE INHIBITORS Novartis AG (CH) 2002-11-27 EP disclosed
WO-2001055114-A1 2-AMINO-NICOTINAMIDE DERIVATIVES AND THEIR USE AS VEGF-RECEPTOR TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2001-08-02 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 (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 4/4885KMT2A 2853/4885MEN1 2272/4885
US-20030032656-A1 2-Amino-nicotinamide derivatives and their use as vegf-receptor tyrosine kinase inhibitors KDR, ERBB2, FLT1 KDR 1/4885KMT2A 2155/4885MEN1 4248/4885

“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.