SCHEMBL12478690

SCHEMBL12478690

NC(=O)CC(Cc1ccccc1)c1nc(Nc2ccc(CN3CCN(C(=O)O)CC3)cc2)ncc1C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 10/20 0.53
▸ JAK3 P52333 2/20 0.40
▸ PRKAA2 P54646 2/20 0.40
▸ CHRM2 P08172 1/20 0.40
▸ FAAH O00519 1/20 0.40
▸ SYK P43405 1/20 0.40
▸ PRKAB2 O43741 1/20 0.39
▸ PRKAG1 P54619 1/20 0.39
▸ PRKAA1 Q13131 1/20 0.39
▸ PRKAG3 Q9UGI9 1/20 0.39
▸ PRKAG2 Q9UGJ0 1/20 0.39
▸ PRKAB1 Q9Y478 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ EPAS1 Q99814 1/20 0.39
▸ GSK3A P49840 1/20 0.39
▸ GSK3B P49841 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
SCHEMBL12478240 0.91 PTK2 (0.48) PTK2PRKAA2FAAHSYKPRKAB2
SCHEMBL15524693 0.90 JAK3 (0.45) PTK2JAK3GSK3AGSK3B
SCHEMBL12478740 0.90 PTK2 (0.53) PTK2SYK
SCHEMBL12478260 0.87 PTK2 (0.54) PTK2
SCHEMBL15524830 0.85 PTK2 (0.49) PTK2
SCHEMBL12479026 0.84 PTK2 (0.51) PTK2
SCHEMBL15524349 0.84 FLT4 (0.52) PTK2
SCHEMBL12478056 0.83 PTK2 (0.53) PTK2
SCHEMBL15524415 0.82 CNR2 (0.48) PTK2GSK3AGSK3B
SCHEMBL14576352 0.82 FLT3 (0.52) PTK2PRKAA2PRKAG1PRKAB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2675793-B1 FAK INHIBITORS CANCER THERAPEUTICS CRC PTY LTD (AU) 2018-08-08 — — EP disclosed
US-9421205-B2 FAK inhibitors Cancer Therapeutics CRC Pty Ltd. (AU) 2016-08-23 — — US disclosed
US-20150231135-A1 FAK INHIBITORS Cancer Therapeutics CRC Pty Ltd. (AU) 2015-08-20 — — US disclosed
US-9012461-B2 FAK inhibitors CANCER THERAPEUTICS CRC PTY LTD (AU) 2015-04-21 — — US disclosed
WO-2014027199-A1 FAK AND FLT3 INHIBITORS CANCER THERAPEUTICS CRC PTY LTD (AU) 2014-02-20 — — WO disclosed
EP-2675793-A1 FAK INHIBITORS Cancer Therapeutics Crc Pty Limited (AU) 2013-12-25 — — EP disclosed
US-20130324532-A1 FAK INHIBITORS CANCER THERAPEUTICS CRC PTY LIMITED (AU) 2013-12-05 — — US disclosed
US-20130017194-A1 FAK INHIBITORS CANCER THERAPEUTICS CRC PTY LIMITED (AU) 2013-01-17 — — US disclosed
WO-2012110773-A1 FAK INHIBITORS CANCER THERAPEUTICS CRC PTY LIMITED (AU) 2012-08-23 — — WO 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-20130017194-A1 FAK INHIBITORS PTK2, CTTN, SRC PTK2 1/4885JAK3 968/4885PRKAA2 898/4885
US-20130324532-A1 FAK INHIBITORS PTK2, CTTN, SRC PTK2 1/4885JAK3 968/4885PRKAA2 898/4885
US-20150231135-A1 FAK INHIBITORS PTK2, CTTN, SRC PTK2 1/4885JAK3 909/4885PRKAA2 1178/4885

“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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