SCHEMBL12478708

SCHEMBL12478708

CC(C)(C)OC(=O)N1CCN(c2ccc(Nc3ncc(C(F)(F)F)c(CCc4ccccc4CC(=O)O)n3)cc2)CC1.[LiH]

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 19/20 0.70
▸ CCNK O75909 1/20 0.52
▸ CCNA2 P20248 1/20 0.52
▸ CDK2 P24941 1/20 0.52
▸ CCND3 P30281 1/20 0.52
▸ CDK9 P50750 1/20 0.52
▸ CDK6 Q00534 1/20 0.52
▸ FLT4 P35916 1/20 0.52

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
SCHEMBL15598564 0.99 PTK2 (0.71) PTK2CCNKCCNA2CDK2CCND3
SCHEMBL14643093 0.93 PTK2 (0.82) PTK2FLT4
SCHEMBL12478817 0.93 PTK2 (0.70) PTK2CCNKCCNA2CDK2CCND3
Lithium Ion SCHEMBL12478703 0.92 PTK2 (0.69) PTK2CCNKCCNA2CDK2CCND3
SCHEMBL16656786 0.92 PTK2 (0.77) PTK2CCNKCCNA2CDK2CCND3
SCHEMBL15588011 0.90 PTK2 (0.58) PTK2FLT4
SCHEMBL12478935 0.90 PTK2 (0.68) PTK2FLT4
SCHEMBL15524170 0.89 CCND3 (0.59) PTK2CCNKCCNA2CDK2CCND3
Acetic Acid SCHEMBL27933736 0.89 PTK2 (0.65) PTK2CCNKCCNA2CDK2CCND3
SCHEMBL16656742 0.89 PTK2 (0.69) PTK2FLT4

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 8 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
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 1/4885CCNK 117/4885CCNA2 268/4885
US-20130324532-A1 FAK INHIBITORS PTK2, CTTN, SRC PTK2 1/4885CCNK 117/4885CCNA2 268/4885
US-20150231135-A1 FAK INHIBITORS PTK2, CTTN, SRC PTK2 1/4885CCNK 212/4885CCNA2 351/4885

“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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