SCHEMBL2268211

SCHEMBL2268211

N#Cc1cccc(-n2ccc(=O)c(Cc3cccc(NC(=O)OCCC4CCOCC4)c3)n2)c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 2/20 0.43
KLKB1 P03952 4/20 0.37
MET P08581 2/20 0.36
VNN1 O95497 1/20 0.36
CACNA2D1 P54289 1/20 0.36
CCR3 P51677 4/20 0.36
CCR2 P41597 1/20 0.35
KMT2A Q03164 1/20 0.35
HTT P42858 1/20 0.34
HTR2A P28223 1/20 0.34
CNR2 P34972 1/20 0.34

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
SCHEMBL13275159 0.93 KLKB1 (0.38) CHRM4KLKB1VNN1CACNA2D1CCR3
SCHEMBL13275458 0.90 IMPDH2 (0.40) CHRM4KLKB1CACNA2D1CCR3KMT2A
SCHEMBL13274789 0.88 MET (0.45) CHRM4METCACNA2D1CCR3HTT
SCHEMBL13465659 0.85 HPGD (0.41) METKMT2A
SCHEMBL13275332 0.84 KDM4E (0.39) METKMT2A
SCHEMBL13274968 0.84 MET (0.37) KLKB1MET
SCHEMBL13465816 0.84 PARP1 (0.38) KLKB1CACNA2D1CCR3KMT2AHTR2A
SCHEMBL13274862 0.84 ROCK2 (0.36) CHRM4KLKB1CACNA2D1CCR3HTT
SCHEMBL13449332 0.84 IMPDH2 (0.40) KLKB1CCR3
SCHEMBL13449331 0.83 PARP1 (0.49) METKMT2AHTT

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
EP-2515657-A1 TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-10-31 EP claimed
WO-2011084402-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-07-14 WO claimed
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US disclosed
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 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-20120264735-A1 TYROSINE KINASE INHIBITORS ABL1, MET, ERBB2 CHRM4 4663/4885KLKB1 2827/4885MET 2/4885

“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.