SCHEMBL12479331

SCHEMBL12479331

COc1cc(C2=CCNCC2)ccc1N

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
QDPR P09417 3/20 0.72
ALDH1A1 P00352 1/20 0.56
CYP3A4 P08684 1/20 0.56
TSHR P16473 1/20 0.56
HSD17B10 Q99714 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
TGFBR1 P36897 1/20 0.55
ACVR1 Q04771 1/20 0.55
KCNH2 Q12809 1/20 0.55
TLR9 Q9NR96 1/20 0.52
TLR7 Q9NYK1 1/20 0.52
HTR2C P28335 8/20 0.50
SIGMAR1 Q99720 2/20 0.50
BCL9 O00512 1/20 0.47
CTNNB1 P35222 1/20 0.47
KHK P50053 2/20 0.46
SUV39H2 Q9H5I1 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
SCHEMBL7305529 0.88 QDPR (0.76) QDPRTGFBR1ACVR1KCNH2TLR9
SCHEMBL27553177 0.84 QDPR (0.70) QDPRTGFBR1ACVR1KCNH2TLR9
SCHEMBL10407313 0.84 QDPR (1.00) QDPRTGFBR1ACVR1KCNH2TLR9
SCHEMBL17548153 0.84 QDPR (0.70) QDPRALDH1A1CYP3A4HSD17B10TGFBR1
SCHEMBL28107872 0.83 QDPR (0.51) QDPRTGFBR1ACVR1KCNH2TLR9
SCHEMBL20847821 0.81 HTR2C (0.57) QDPRALDH1A1CYP3A4TSHRTDP1
SCHEMBL24669645 0.81 QDPR (0.66) QDPRTGFBR1ACVR1KCNH2TLR9
SCHEMBL16874849 0.81 QDPR (0.66) QDPRTGFBR1ACVR1KCNH2TLR9
SCHEMBL6586294 0.80 QDPR (0.65) QDPRTGFBR1ACVR1KCNH2TLR9
SCHEMBL23730258 0.80 QDPR (0.65) QDPRTGFBR1ACVR1KCNH2TLR9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2675794-B1 SELECTIVE FAK INHIBITORS CANCER THERAPEUTICS CRC PTY LTD (AU) 2019-02-13 EP disclosed
US-9174946-B2 Selective FAK inhibitors CANCER THERAPEUTICS CRC PTY LTD (AU) 2015-11-03 US disclosed
US-9174946-B2 Selective FAK inhibitors CANCER THERAPEUTICS CRC PTY LTD (AU) 2015-11-03 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-9120761-B2 Selective FAK inhibitors CANCER THERAPEUTICS CRC PTY LTD (AU) 2015-09-01 US disclosed
US-9120761-B2 Selective FAK inhibitors CANCER THERAPEUTICS CRC PTY LTD (AU) 2015-09-01 US disclosed
EP-2675794-A1 SELECTIVE FAK INHIBITORS Cancer Therapeutics Crc Pty Limited (AU) 2013-12-25 EP disclosed
US-20130324546-A1 SELECTIVE FAK INHIBITORS CANCER THERAPEUTICS CRC PTY LIMITED (AU) 2013-12-05 US disclosed
US-20130022594-A1 SELECTIVE FAK INHIBITORS CANCER THERAPEUTICS CRC PTY LIMITED (AU) 2013-01-24 US disclosed
US-20130022594-A1 SELECTIVE FAK INHIBITORS CANCER THERAPEUTICS CRC PTY LIMITED (AU) 2013-01-24 US disclosed
US-20130022594-A1 SELECTIVE FAK INHIBITORS CANCER THERAPEUTICS CRC PTY LIMITED (AU) 2013-01-24 US disclosed
WO-2012110774-A1 SELECTIVE FAK INHIBITORS CANCER THERAPEUTICS CRC PTY LIMITED (AU) 2012-08-23 WO disclosed
WO-2010111406-A2 COMPOUNDS AND THERAPEUTIC USES THEREOF MYRIAD PHARMACEUTICALS, INC. (US) 2010-09-30 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 (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-20130324546-A1 SELECTIVE FAK INHIBITORS PTK2, CTTN, SRC QDPR 2799/4885ALDH1A1 2548/4885CYP3A4 4421/4885
US-20130022594-A1 SELECTIVE FAK INHIBITORS PTK2, CTTN, SRC QDPR 3114/4885ALDH1A1 3249/4885CYP3A4 4591/4885

“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.