SCHEMBL3902854

SCHEMBL3902854

COC(=O)c1ccc(C(C)C)c(C#N)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.45
CA2 P00918 3/20 0.45
CA12 O43570 2/20 0.45
CA7 P43166 2/20 0.45
CA9 Q16790 2/20 0.45
CA14 Q9ULX7 2/20 0.45
XDH P47989 1/20 0.45
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 4/20 0.42
MAPT P10636 3/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
ATM Q13315 1/20 0.41
LMNA P02545 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41

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
SCHEMBL22747129 0.86 CA1 (0.44) CA1CA2CA12CA7CA9
SCHEMBL22747131 0.86 CA1 (0.44) CA1CA2CA12CA7CA9
SCHEMBL26458007 0.82 CYP2A6 (0.40) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL3908449 0.82 ACE2 (0.51) XDHALDH1A1HPGDMEN1KMT2A
SCHEMBL30211966 0.82 ACE2 (0.51) XDHALDH1A1HPGDMEN1KMT2A
SCHEMBL8148281 0.82 CA1 (0.52) CA1CA2CA12CA7CA9
SCHEMBL7978961 0.81 GLRA1 (0.38) ALDH1A1HPGD
SCHEMBL28880690 0.80 CA1 (0.50) CA1CA2CA12CA7CA9
SCHEMBL13220716 0.80 CA1 (0.53) CA1CA2CA12CA7CA9
SCHEMBL1807138 0.79 XDH (0.54) XDHMAPTLMNA

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-20230227447-A1 BENZYLAMINE DERIVATIVES AS DDRS INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2023-07-20 US disclosed
EP-4157447-A1 BENZYLAMINE DERIVATIVES AS DDRS INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2023-04-05 EP disclosed
CN-115697485-A Benzylamine derivatives as DDR inhibitors 奇斯药制品公司 2023-02-03 CN disclosed
WO-2021239643-A1 BENZYLAMINE DERIVATIVES AS DDRS INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2021-12-02 WO disclosed
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
EP-2017263-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-01-21 EP 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-20230227447-A1 BENZYLAMINE DERIVATIVES AS DDRS INHIBITORS DDR2, DDR1, DDRGK1 CA1 4884/4885CA2 4858/4885CA12 4881/4885
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE S1PR3, S1PR2, S1PR1 CA1 2517/4885CA2 1077/4885CA12 3563/4885

“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.