SCHEMBL2269759

SCHEMBL2269759

CCn1cc(-n2ccc(=O)c(Cc3cccc(-c4ncc(OCCN5CCOCC5)cn4)c3)n2)cn1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MET P08581 4/20 0.47
SIGMAR1 Q99720 3/20 0.38
MAPK14 Q16539 1/20 0.37
MCHR1 Q99705 1/20 0.37
GRM4 Q14833 1/20 0.37
IGF1R P08069 2/20 0.36
LTA4H P09960 1/20 0.36
ADORA2A P29274 2/20 0.36
ADORA1 P30542 2/20 0.36
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
IRAK4 Q9NWZ3 2/20 0.35
CSF1R P07333 1/20 0.35
IRAK1 P51617 1/20 0.35

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
SCHEMBL2221759 0.93 MET (0.49) METSIGMAR1MAPK14MCHR1GRM4
SCHEMBL2222454 0.87 MET (0.35) METIGF1R
SCHEMBL2265443 0.87 PPARG (0.36) METIGF1R
SCHEMBL13275278 0.86 MET (0.39) METGRM4IGF1R
SCHEMBL2265508 0.86 MET (0.34) METIGF1R
SCHEMBL13449369 0.84 MET (0.41) METSIGMAR1MAPK14GRM4ADORA2A
SCHEMBL12517938 0.84 ALKBH1 (0.39) MAPK14MCHR1
SCHEMBL2222170 0.84 IRAK1 (0.40) METIGF1RIRAK4IRAK1
SCHEMBL2362911 0.84 IRAK4 (0.37) METIGF1RIRAK4IRAK1
SCHEMBL2365097 0.83 FGFR1 (0.33) METIGF1RIRAK4

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 6 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
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US 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
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 MET 2/4885SIGMAR1 3491/4885MAPK14 540/4885

“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.