SCHEMBL3118019

SCHEMBL3118019

CCCCCc1ccc(NC(=O)c2cccnc2N(C)c2ccncc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.60
TRPV1 Q8NER1 7/20 0.49
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
ALDH1A1 P00352 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
KDM4E B2RXH2 1/20 0.43
GALR3 O60755 1/20 0.43
PRKCI P41743 1/20 0.43

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
SCHEMBL7134460 0.97 KDR (0.64) KDRTRPV1NPC1RAB9AALDH1A1
SCHEMBL3123929 0.93 KDR (0.59) KDRTRPV1NPC1RAB9AALDH1A1
SCHEMBL3115288 0.80 NAMPT (0.49) KDRTRPV1NPC1RAB9AKMT2A
SCHEMBL3118015 0.78 KDR (0.94) KDR
SCHEMBL3123837 0.78 KDR (0.60) KDRTRPV1NPC1RAB9AALDH1A1
SCHEMBL3115333 0.78 KMT2A (0.46) KDRNPC1RAB9AALDH1A1KMT2A
SCHEMBL2869478 0.78 SIRT2 (0.53) KDRTRPV1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL4017529 0.77 KDR (0.69) KDRTRPV1NPC1RAB9AALDH1A1
SCHEMBL449643 0.75 KDR (1.00) KDR
SCHEMBL3123474 0.74 KDR (0.64) KDRTRPV1NPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1216867-C 2-amino-nicotinamide derivatives and their use as VEGF-receptor tyrosine kinase inhibitors NOVARTIS AG (CH) 2005-08-31 CN 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-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 (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-20030032656-A1 2-Amino-nicotinamide derivatives and their use as vegf-receptor tyrosine kinase inhibitors KDR, ERBB2, FLT1 KDR 1/4885TRPV1 1662/4885NPC1 3148/4885

“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.