SCHEMBL17429758

SCHEMBL17429758

CC(CNC(=O)OC(C)(C)C)c1ccc(Nc2ncc(C(F)(F)F)c(Cl)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FLT4 P35916 3/20 0.46
▸ KDR P35968 10/20 0.42
▸ CDK1 P06493 9/20 0.42
▸ CDK2 P24941 9/20 0.42
▸ CDK4 P11802 2/20 0.42
▸ CCNB1 P14635 1/20 0.40
▸ CCNE1 P24864 1/20 0.40
▸ PTK2 Q05397 7/20 0.40
▸ JAK2 O60674 1/20 0.39
▸ NTRK1 P04629 1/20 0.39
▸ TYK2 P29597 1/20 0.39
▸ JAK3 P52333 1/20 0.39
▸ PTK2B Q14289 1/20 0.39
▸ NTRK3 Q16288 1/20 0.39
▸ NTRK2 Q16620 1/20 0.39

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
SCHEMBL1627765 0.85 FLT4 (0.58) FLT4KDRCDK1CDK2CDK4
SCHEMBL1627766 0.85 FLT4 (0.58) FLT4KDRCDK1CDK2CDK4
SCHEMBL12720382 0.85 FLT4 (0.58) FLT4KDRCDK1CDK2CDK4
SCHEMBL1628013 0.85 PTK2 (0.52) KDRPTK2JAK2NTRK1TYK2
SCHEMBL30895328 0.83 PTK2 (0.47) KDRCDK1CDK2CDK4PTK2
Bromide SCHEMBL30895402 0.81 PTK2 (0.46) FLT4KDRCDK1CDK2CDK4
SCHEMBL1008313 0.81 PTK2 (0.53) KDRPTK2JAK2NTRK1TYK2
SCHEMBL6509043 0.76 CDK1 (0.61) FLT4KDRCDK1JAK2
SCHEMBL15513049 0.76 FLT4 (0.47) FLT4KDRCDK1CDK2CDK4
SCHEMBL6033947 0.76 KDR (0.41) FLT4KDRCDK1

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-20160009686-A1 VEGFR3 INHIBITORS CANCER THERAPEUTICS CRC PTY LIMITED (AU) 2016-01-14 — — 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-20160009686-A1 VEGFR3 INHIBITORS FLT4, FLT1, KDR FLT4 1/4885KDR 3/4885CDK1 78/4885

“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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