SCHEMBL2262181

SCHEMBL2262181

Cn1cc(-n2ccc(=O)c(Cc3cccc(N(CCN4CCOCC4=O)C(=O)O)c3)n2)cn1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.33
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
ENPP2 Q13822 1/20 0.32
RIPK2 O43353 1/20 0.31
IGF1R P08069 1/20 0.30
NTRK1 P04629 1/20 0.30

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
SCHEMBL13275099 0.89 CASR (0.36) EPHX2
SCHEMBL2220636 0.89 ALDH1A1 (0.36) ENPP2
SCHEMBL13274882 0.88 EPHX2 (0.32) EPHX2HSP90AA1HSP90AB1
SCHEMBL2222897 0.86 SMN1; SMN2 (0.36)
SCHEMBL2220491 0.85 CACNA2D1 (0.36) EPHX2HSP90AA1HSP90AB1
SCHEMBL2272785 0.85 ENPP2 (0.35) ENPP2
SCHEMBL2221804 0.85 ENPP2 (0.35) ENPP2
SCHEMBL2362780 0.84 OPRM1 (0.36) HSP90AA1HSP90AB1ENPP2
SCHEMBL2334239 0.84 ENPP2 (0.34) ENPP2
SCHEMBL2221295 0.84 BRD4 (0.34) ENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US claimed
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US disclosed
WO-2011084402-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-07-14 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 (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-20120264735-A1 TYROSINE KINASE INHIBITORS ABL1, MET, ERBB2 EPHX2 3003/4885HSP90AA1 817/4885HSP90AB1 603/4885

“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.