SCHEMBL14577403

SCHEMBL14577403

NC(=O)CC(Cc1ccccc1)c1nc(Nc2ccc(C3(NC(=O)O)CCNCC3)cc2)ncc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 10/20 0.43
▸ FLT4 P35916 7/20 0.42
▸ KDR P35968 3/20 0.42
▸ GSK3A P49840 1/20 0.40
▸ GSK3B P49841 1/20 0.40
▸ CDC7 O00311 1/20 0.40
▸ ROCK2 O75116 1/20 0.40
▸ MAP4K4 O95819 1/20 0.40
▸ PIM1 P11309 1/20 0.40
▸ PRKACA P17612 1/20 0.40
▸ CDK7 P50613 1/20 0.40
▸ CDK9 P50750 1/20 0.40
▸ HIPK2 Q9H2X6 1/20 0.40
▸ IRAK4 Q9NWZ3 1/20 0.40
▸ FLT3 P36888 1/20 0.40

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
SCHEMBL15524415 0.81 CNR2 (0.48) PTK2GSK3AGSK3BCDC7ROCK2
SCHEMBL15524495 0.79 FLT4 (0.48) PTK2FLT4KDRGSK3AGSK3B
SCHEMBL15524738 0.78 FLT4 (0.40) FLT4KDR
SCHEMBL15524830 0.78 PTK2 (0.49) PTK2FLT4KDR
SCHEMBL15524693 0.77 JAK3 (0.45) PTK2GSK3AGSK3BFLT3
SCHEMBL12478740 0.77 PTK2 (0.53) PTK2
SCHEMBL12478690 0.77 PTK2 (0.53) PTK2GSK3AGSK3B
SCHEMBL12478992 0.76 PTK2 (0.51) PTK2
SCHEMBL15524665 0.76 GSK3A (0.40) PTK2GSK3AGSK3BCDC7ROCK2
SCHEMBL12478260 0.76 PTK2 (0.54) PTK2FLT4KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9012461-B2 FAK inhibitors CANCER THERAPEUTICS CRC PTY LTD (AU) 2015-04-21 — — US disclosed
US-20130017194-A1 FAK INHIBITORS CANCER THERAPEUTICS CRC PTY LIMITED (AU) 2013-01-17 — — 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-20130017194-A1 FAK INHIBITORS PTK2, CTTN, SRC PTK2 1/4885FLT4 617/4885KDR 189/4885

“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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