SCHEMBL12478681

SCHEMBL12478681

O=C(O)N1CCCC(c2ccc(Nc3ncc(C(F)(F)F)c(Cl)n3)cc2)C1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 13/20 0.51
JAK3 P52333 5/20 0.47
LCK P06239 2/20 0.47
FLT4 P35916 1/20 0.43
GRM5 P41594 1/20 0.43

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
SCHEMBL14576985 0.95 PTK2 (0.49) PTK2JAK3LCKFLT4
SCHEMBL15513342 0.91 JAK3 (0.46) PTK2JAK3LCKFLT4
SCHEMBL12478010 0.89 PTK2 (0.53) PTK2JAK3LCKFLT4
SCHEMBL12478971 0.87 PTK2 (0.49) PTK2JAK3LCK
SCHEMBL14576468 0.83 PTK2 (0.49) PTK2JAK3LCKFLT4
SCHEMBL14576849 0.81 PTK2 (0.50) PTK2JAK3LCK
SCHEMBL15506605 0.80 JAK3 (0.46) PTK2JAK3LCK
SCHEMBL21178194 0.80 MAPK3 (0.55)
SCHEMBL29042588 0.80 MAPK3 (0.55)
SCHEMBL15514106 0.80 FLT4 (0.50) PTK2JAK3LCKFLT4

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 968/4885LCK 100/4885
US-20130324532-A1 FAK INHIBITORS PTK2, CTTN, SRC PTK2 1/4885JAK3 968/4885LCK 100/4885
US-20150231135-A1 FAK INHIBITORS PTK2, CTTN, SRC PTK2 1/4885JAK3 909/4885LCK 89/4885

“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.