SCHEMBL7139105

SCHEMBL7139105

NC(=O)c1c(-c2cccc(C(F)(F)F)c2)ccnc1NCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ RPS6KB1 P23443 5/20 0.49
▸ AURKA O14965 5/20 0.49
▸ AURKB Q96GD4 1/20 0.49
▸ VNN1 O95497 3/20 0.48
▸ EPHB4 P54760 1/20 0.48
▸ KDR P35968 2/20 0.48
▸ TACR1 P25103 2/20 0.47
▸ VCP P55072 1/20 0.47
▸ KMO O15229 1/20 0.45
▸ PDPK1 O15530 1/20 0.45
▸ NR3C2 P08235 1/20 0.44
▸ APP P05067 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
SCHEMBL1585596 0.76 KLKB1 (0.51) RPS6KB1AURKA
SCHEMBL7083955 0.76 KDM4E (0.48) KMONR3C2
SCHEMBL26921026 0.74 RPS6KB1 (0.60) RPS6KB1AURKAAURKBVNN1NR3C2
SCHEMBL7732439 0.72 KDR (0.55) RPS6KB1AURKAAURKBVNN1KDR
SCHEMBL5094134 0.71 CAMKK2 (0.54) RPS6KB1AURKAAURKBVNN1VCP
SCHEMBL3109871 0.69 RXFP1 (0.81) KDR
Hydrochloric Acid SCHEMBL448201 0.69 KDR (0.65) KDRPDPK1
SCHEMBL4683411 0.69 RORB (0.66) TACR1KMO
SCHEMBL30272163 0.69 RORB (0.66) TACR1KMO
SCHEMBL5093362 0.69 VNN1 (0.55) RPS6KB1AURKAAURKBVNN1NR3C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 RPS6KB1 380/4885AURKA 1050/4885AURKB 908/4885

“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.

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