SCHEMBL3317600

SCHEMBL3317600

COc1cc(C2=CCN(C(=O)OC(C)(C)C)CC2)ccc1NC(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.54
QDPR P09417 2/20 0.52
GRM1 Q13255 4/20 0.51
GRM5 P41594 3/20 0.51
CDK7 P50613 1/20 0.49
CDK13 Q14004 1/20 0.49
CDK12 Q9NYV4 1/20 0.49
JAK1 P23458 1/20 0.46
PDK4 Q16654 1/20 0.45
BRD4 O60885 1/20 0.44
ABL1 P00519 2/20 0.43
EGFR P00533 2/20 0.43
PIK3CD O00329 1/20 0.43
KDR P35968 1/20 0.43
PIK3CA P42336 1/20 0.43
PIK3CG P48736 1/20 0.43
BACE1 P56817 1/20 0.43
PRKDC P78527 1/20 0.43
PI4KB Q9UBF8 1/20 0.43
JAK2 O60674 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
SCHEMBL12479072 0.92 QDPR (0.52) NAMPTQDPRGRM1GRM5CDK7
SCHEMBL1781247 0.87 LNPEP (0.48) NAMPTQDPRGRM1GRM5CDK7
SCHEMBL17197366 0.87 NAMPT (0.51) NAMPTQDPRGRM1GRM5CDK7
SCHEMBL5869079 0.87 NAMPT (0.55) NAMPTGRM1GRM5CDK7CDK13
SCHEMBL12479794 0.87 NAMPT (0.55) NAMPTGRM1GRM5CDK7CDK13
SCHEMBL23411537 0.86 QDPR (0.59) NAMPTQDPRGRM1GRM5CDK7
SCHEMBL29891552 0.86 QDPR (0.59) NAMPTQDPRGRM1GRM5CDK7
SCHEMBL16992228 0.83 QDPR (0.54) NAMPTQDPRGRM1GRM5CDK7
SCHEMBL5869037 0.83 NAMPT (0.52) NAMPTGRM1GRM5CDK7CDK13
SCHEMBL17548155 0.83 QDPR (0.56) NAMPTQDPRGRM1GRM5CDK7

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 13 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
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-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
WO-2012110774-A1 SELECTIVE FAK INHIBITORS CANCER THERAPEUTICS CRC PTY LIMITED (AU) 2012-08-23 WO disclosed
WO-2010049731-A1 PYRAZOLO- AND IMIDAZOPYRIDINYLPYRIMIDINEAMINES AS IGF-1R TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2010-05-06 WO disclosed
US-20100105655-A1 NOVEL COMPOUNDS 515 ASTRAZENECA AB 2010-04-29 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-20130324546-A1 SELECTIVE FAK INHIBITORS PTK2, CTTN, SRC NAMPT 2847/4885QDPR 2799/4885GRM1 2033/4885
US-20130022594-A1 SELECTIVE FAK INHIBITORS PTK2, CTTN, SRC NAMPT 2728/4885QDPR 3114/4885GRM1 1678/4885
US-20100105655-A1 NOVEL COMPOUNDS 515 TYMS, ABCG2, UMPS NAMPT 186/4885QDPR 511/4885GRM1 3040/4885

“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.