SCHEMBL2954440

SCHEMBL2954440

COc1cc(C2=CCN(C(=O)OC(C)(C)C)CC2)ccc1N

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
QDPR P09417 3/20 0.56
GRM1 Q13255 6/20 0.54
GRM5 P41594 5/20 0.54
NAMPT P43490 1/20 0.53
PDK4 Q16654 1/20 0.48
CYP11B2 P19099 1/20 0.46
CDK7 P50613 1/20 0.45
CDK13 Q14004 1/20 0.45
CDK12 Q9NYV4 1/20 0.45
BRD4 O60885 1/20 0.45
TNK2 Q07912 1/20 0.45
SOS1 Q07889 1/20 0.44
LIPC P11150 1/20 0.44
LIPG Q9Y5X9 1/20 0.44
BTK Q06187 1/20 0.44
TLR7 Q9NYK1 1/20 0.44
NR1H2 P55055 1/20 0.44

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
SCHEMBL29891552 0.90 QDPR (0.59) QDPRGRM1GRM5NAMPTPDK4
SCHEMBL23411537 0.90 QDPR (0.59) QDPRGRM1GRM5NAMPTPDK4
SCHEMBL30778341 0.89 NAMPT (0.56) QDPRGRM1GRM5NAMPTPDK4
SCHEMBL15157008 0.89 NAMPT (0.56) QDPRGRM1GRM5NAMPTPDK4
SCHEMBL15754653 0.88 NAMPT (0.50) QDPRGRM1GRM5NAMPTPDK4
SCHEMBL17303721 0.87 NAMPT (0.49) QDPRGRM1GRM5NAMPTPDK4
SCHEMBL17548155 0.87 QDPR (0.56) QDPRGRM1GRM5NAMPTPDK4
SCHEMBL19701840 0.87 QDPR (0.56) QDPRGRM1GRM5NAMPTPDK4
SCHEMBL19703158 0.87 QDPR (0.56) QDPRGRM1GRM5NAMPTPDK4
SCHEMBL18310124 0.86 QDPR (0.57) QDPRGRM1GRM5NAMPTPDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022192162-A1 NOVEL HETEROAROMATIC COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE FOX CHASE CHEMICAL DIVERSITY CENTER, INC. (US) 2022-09-15 WO disclosed
EP-2675794-B1 SELECTIVE FAK INHIBITORS CANCER THERAPEUTICS CRC PTY LTD (AU) 2019-02-13 EP disclosed
EP-2675794-B1 SELECTIVE FAK INHIBITORS CANCER THERAPEUTICS CRC PTY LTD (AU) 2019-02-13 EP disclosed
US-9212192-B2 Bicyclic carboxamide inhibitors of kinases ABBVIE INC. (US) 2015-12-15 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-20140194418-A1 BICYCLIC CARBOXAMIDE INHIBITORS OF KINASES ABBVIE INC. (US) 2014-07-10 US 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-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2012-05-17 US disclosed
US-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2012-05-17 US 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 (4 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 2799/4885GRM1 2033/4885GRM5 2590/4885
US-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF VHL, TP53, ASAH2 QDPR 1083/4885GRM1 4174/4885GRM5 2366/4885
US-20130022594-A1 SELECTIVE FAK INHIBITORS PTK2, CTTN, SRC QDPR 3114/4885GRM1 1678/4885GRM5 2186/4885
US-20140194418-A1 BICYCLIC CARBOXAMIDE INHIBITORS OF KINASES ALK, BRAF, BMX QDPR 1630/4885GRM1 774/4885GRM5 1021/4885

“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.