SCHEMBL15524415

SCHEMBL15524415

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

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 8/20 0.48
▸ PTK2 Q05397 8/20 0.47
▸ GSK3A P49840 1/20 0.46
▸ GSK3B P49841 1/20 0.46
▸ BTK Q06187 1/20 0.44
▸ CDC7 O00311 1/20 0.43
▸ ROCK2 O75116 1/20 0.43
▸ MAP4K4 O95819 1/20 0.43
▸ PIM1 P11309 1/20 0.43
▸ PRKACA P17612 1/20 0.43
▸ CDK7 P50613 1/20 0.43
▸ CDK9 P50750 1/20 0.43
▸ HIPK2 Q9H2X6 1/20 0.43
▸ IRAK4 Q9NWZ3 1/20 0.43
▸ STAT6 P42226 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
SCHEMBL15524585 0.90 PTK2 (0.45) CNR2PTK2GSK3AGSK3BBTK
SCHEMBL15524831 0.87 EGFR (0.46) CNR2BTKSTAT6
SCHEMBL15524495 0.85 FLT4 (0.48) CNR2PTK2GSK3AGSK3BCDC7
SCHEMBL15524665 0.84 GSK3A (0.40) CNR2PTK2GSK3AGSK3BCDC7
SCHEMBL12478690 0.82 PTK2 (0.53) PTK2GSK3AGSK3B
SCHEMBL15524830 0.82 PTK2 (0.49) PTK2
SCHEMBL15524693 0.81 JAK3 (0.45) PTK2GSK3AGSK3B
SCHEMBL12478740 0.81 PTK2 (0.53) PTK2STAT6
SCHEMBL14577403 0.81 PTK2 (0.43) PTK2GSK3AGSK3BCDC7ROCK2
SCHEMBL12478992 0.81 PTK2 (0.51) PTK2STAT6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9266864-B2 VEGFR3 inhibitors CANCER THERAPEUTICS CRC PTY LIMITED (AU) 2016-02-23 — — US disclosed
US-20150225377-A1 VEGFR3 INHIBITORS CANCER THERAPEUTICS CRC PTY LIMITED (AU) 2015-08-13 — — US disclosed
US-20140080798-A1 VEGFR3 INHIBITORS CANCER THERAPEUTICS CRC PTY LIMITED (AU) 2014-03-20 — — US disclosed
US-20090068168-A1 SUBSTITUTED AMINO ALCOHOLS AUSPEX PHARMACEUTICALS, INC. (US) 2009-03-12 — — 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 (3 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-20090068168-A1 SUBSTITUTED AMINO ALCOHOLS GOT1, AADAT, ADH1A CNR2 3404/4885PTK2 3451/4885GSK3A 4470/4885
US-20150225377-A1 VEGFR3 INHIBITORS FLT4, FLT1, KDR CNR2 1834/4885PTK2 240/4885GSK3A 446/4885
US-20140080798-A1 VEGFR3 INHIBITORS FLT4, FLT1, KDR CNR2 1810/4885PTK2 260/4885GSK3A 419/4885

“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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