SCHEMBL14617541

SCHEMBL14617541

CSc1ncc(C(F)(F)F)c(C#Cc2ccccc2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.41
GRM5 P41594 7/20 0.39
AURKA O14965 1/20 0.37
KDR P35968 1/20 0.37
AURKB Q96GD4 1/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
CYP2C19 P33261 1/20 0.36

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 0.84 RXFP1 (0.39) RXFP1GRM5TP53
SCHEMBL25238486 0.81 RXFP1 (0.35) RXFP1AURKAKDRAURKBKDM4E
SCHEMBL14617548 0.77 GABRA1 (0.38) RXFP1GRM5
SCHEMBL14617540 0.76 SDHB (0.39) GRM5NPC1RAB9AMEN1TP53
SCHEMBL17027297 0.75 RXFP1 (0.40) RXFP1ALDH1A1TP53HPGD
SCHEMBL14648923 0.74 RXFP1 (0.59) RXFP1KDM4EALDH1A1MEN1TP53
SCHEMBL1644272 0.73 GRM5 (0.56) GRM5KDM4EALDH1A1NPC1RAB9A
SCHEMBL12478570 0.73 RXFP1 (0.41) RXFP1ALDH1A1TP53CYP1A2HPGD
SCHEMBL25204693 0.70 MAPT (0.46) RXFP1AURKAKDRAURKBKDM4E
SCHEMBL30396069 0.70 GSK3A (0.56) RXFP1AURKAKDRAURKBKDM4E

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
US-9421205-B2 FAK inhibitors Cancer Therapeutics CRC Pty Ltd. (AU) 2016-08-23 US disclosed
US-9174946-B2 Selective FAK inhibitors CANCER THERAPEUTICS CRC PTY LTD (AU) 2015-11-03 US disclosed
US-9120761-B2 Selective FAK inhibitors CANCER THERAPEUTICS CRC PTY LTD (AU) 2015-09-01 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-20130022594-A1 SELECTIVE FAK INHIBITORS CANCER THERAPEUTICS CRC PTY LIMITED (AU) 2013-01-24 US 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 (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 RXFP1 934/4885GRM5 2692/4885AURKA 423/4885
US-20130022594-A1 SELECTIVE FAK INHIBITORS PTK2, CTTN, SRC RXFP1 1208/4885GRM5 2186/4885AURKA 419/4885
US-20150231135-A1 FAK INHIBITORS PTK2, CTTN, SRC RXFP1 1160/4885GRM5 2666/4885AURKA 407/4885

“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.