SCHEMBL3315978

SCHEMBL3315978

COc1cc(C2CCN(C(=O)OC(C)(C)C)CC2)ccc1NC(=O)OC(C)(C)C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 8/20 0.59
NAMPT P43490 1/20 0.53
QDPR P09417 1/20 0.50
PDE4A P27815 1/20 0.49
PDE4C Q08493 1/20 0.49
PDE4D Q08499 1/20 0.49
STS P08842 1/20 0.48
ALK Q9UM73 1/20 0.48
ALDH1A1 P00352 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
THRB P10828 1/20 0.46
PTPN2 P17706 1/20 0.46
PTPN1 P18031 1/20 0.46
PTPN6 P29350 1/20 0.46
ALOX12 P18054 1/20 0.46
DDB1 Q16531 1/20 0.46
CRBN Q96SW2 1/20 0.46

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
SCHEMBL12479659 0.91 PDE4B (0.51) PDE4BNAMPTQDPRPDE4APDE4C
SCHEMBL1781447 0.89 QDPR (0.56) PDE4BNAMPTQDPRPDE4APDE4C
SCHEMBL12478772 0.87 NAMPT (0.53) PDE4BNAMPTKDM4EMAPTTHRB
SCHEMBL27933804 0.86 PDE4B (0.45) PDE4BNAMPTQDPRPDE4APDE4C
SCHEMBL17197372 0.85 MEN1 (0.53) PDE4BQDPRPDE4APDE4CPDE4D
SCHEMBL16991970 0.83 PDE4B (0.60) PDE4BNAMPTQDPRPDE4APDE4C
SCHEMBL17197329 0.83 EGFR (0.48) PDE4BQDPRALK
SCHEMBL10195422 0.83 NAMPT (0.49) PDE4BNAMPTMEN1KMT2AKDM4E
SCHEMBL1784746 0.83 ALK (0.44) PDE4BQDPRALK
SCHEMBL3317065 0.83 PDE4B (0.62) PDE4BNAMPTQDPRPDE4APDE4C

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 11 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
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-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 PDE4B 3284/4885NAMPT 2847/4885QDPR 2799/4885
US-20130022594-A1 SELECTIVE FAK INHIBITORS PTK2, CTTN, SRC PDE4B 3459/4885NAMPT 2728/4885QDPR 3114/4885
US-20100105655-A1 NOVEL COMPOUNDS 515 TYMS, ABCG2, UMPS PDE4B 305/4885NAMPT 186/4885QDPR 511/4885

“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.