SCHEMBL2748809

SCHEMBL2748809

COC(OC)C(=O)NCc1cc(Cl)ccc1F

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 1/20 0.44
ERCC4 Q92889 1/20 0.44
MMP2 P08253 1/20 0.43
P2RX7 Q99572 2/20 0.42
CNR1 P21554 1/20 0.40
DDR1 Q08345 3/20 0.39
SETDB1 Q15047 1/20 0.39
HEXD Q8WVB3 1/20 0.38
SLC1A2 P43004 1/20 0.38
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL2748187 0.87 P2RX7 (0.46) P2RX7SETDB1HEXDROCK2ROCK1
SCHEMBL2749953 0.87 ROCK2 (0.45) CNR1ROCK2ROCK1ALDH1A1LMNA
SCHEMBL2749081 0.84 ALDH1A1 (0.42) MMP2P2RX7SETDB1KDM4EALDH1A1
SCHEMBL2748481 0.84 LMNA (0.52) ERCC1ERCC4P2RX7ALDH1A1LMNA
SCHEMBL2748200 0.83 PTGES (0.41) ERCC1ERCC4MMP2ALDH1A1LMNA
SCHEMBL19643240 0.82 MEN1 (0.41) MMP2DDR1HEXDKDM4EALDH1A1
SCHEMBL2749414 0.79 ALDH1A1 (0.43) P2RX7SLC1A2ALDH1A1LMNA
SCHEMBL18769973 0.79 TSHR (0.52) HEXDALDH1A1
SCHEMBL29567928 0.79 TSHR (0.52) HEXDALDH1A1
SCHEMBL18791331 0.78 CARM1 (0.49) ERCC1ERCC4ROCK2ROCK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178668-B2 2-aminopyridine kinase inhibitors OSI Pharmaceuticals, LLC (US) 2012-05-15 US disclosed
EP-2265270-A1 2-AMINOPYRIDINE KINASE INHIBITORS OSI Pharmaceuticals, Inc. (US) 2010-12-29 EP disclosed
WO-2009099982-A1 2-AMINOPYRIDINE KINASE INHIBITORS OSI PHARMACEUTICALS, INC. (US) 2009-08-13 WO disclosed
US-20090197862-A1 2-AMINOPYRIDINE KINASE INHIBITORS OSI PHARMACEUTICALS, INC. 2009-08-06 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 (1 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-20090197862-A1 2-AMINOPYRIDINE KINASE INHIBITORS ERBB2, ABL2, TIE1 ERCC1 4215/4885ERCC4 4816/4885MMP2 3371/4885

“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.