SCHEMBL14617548

SCHEMBL14617548

CSc1ncc(C(F)(F)F)c(C#Cc2cccc(C(=O)OC(C)(C)C)c2)n1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.38
GABRG2 P18507 3/20 0.38
GABRB3 P28472 3/20 0.38
GABRA3 P34903 3/20 0.38
GABRA2 P47869 3/20 0.38
GRM5 P41594 4/20 0.36
LCK P06239 1/20 0.35
TEK Q02763 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
SLC7A5 Q01650 1/20 0.33
ABL1 P00519 1/20 0.33
GABRA5 P31644 1/20 0.32
GABRA4 P48169 1/20 0.32
GABRA6 Q16445 1/20 0.32
RXRA P19793 1/20 0.32
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32

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
SCHEMBL12478716 0.87 RXFP1 (0.39) GRM5LCKTEKRXFP1ABL1
SCHEMBL14617541 0.77 RXFP1 (0.41) GRM5RXFP1
SCHEMBL14577318 0.77 PTK2 (0.43) RXFP1SLC7A5NR1H2NR1H3
SCHEMBL16719850 0.71 GABRA1 (0.53) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL28437608 0.71 GABRA1 (0.53) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL14577106 0.69 GABRA1 (0.50) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL25238486 0.68 RXFP1 (0.35) RXFP1
SCHEMBL12478570 0.67 RXFP1 (0.41) RXFP1ABL1
SCHEMBL16719851 0.67 GABRA1 (0.49) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL17027297 0.67 RXFP1 (0.40) RXFP1

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 10 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-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-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
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
US-20130017194-A1 FAK INHIBITORS CANCER THERAPEUTICS CRC PTY LIMITED (AU) 2013-01-17 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 (2 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 GABRA1 1419/4885GABRG2 1665/4885GABRB3 2166/4885
US-20150231135-A1 FAK INHIBITORS PTK2, CTTN, SRC GABRA1 1333/4885GABRG2 1522/4885GABRB3 2106/4885

“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.