SCHEMBL2222170

SCHEMBL2222170

CCn1cc(-n2ccc(=O)c(Cc3cccc(-c4ncc(OCC5(C)COC5)cn4)c3)n2)cn1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IRAK1 P51617 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
SLC5A1 P13866 1/20 0.36
CACNA1H O95180 6/20 0.32
FFAR1 O14842 5/20 0.32
RET P07949 1/20 0.32
IGF1R P08069 2/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
CACNA1G O43497 1/20 0.31
CACNA1I Q9P0X4 1/20 0.31
MET P08581 3/20 0.31

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
SCHEMBL2265508 0.87 MET (0.34) IGF1RPPARGPPARAMET
SCHEMBL2265443 0.85 PPARG (0.36) IGF1RPPARGPPARAMET
SCHEMBL12517938 0.85 ALKBH1 (0.39) PPARGPPARA
SCHEMBL2365097 0.85 FGFR1 (0.33) IRAK4SLC5A1IGF1RPPARGPPARA
SCHEMBL2220677 0.85 CACNA1H (0.39) IRAK1IRAK4SLC5A1CACNA1HFFAR1
SCHEMBL13274692 0.84 IRAK4 (0.35) IRAK4IGF1RMET
SCHEMBL13275278 0.84 MET (0.39) SLC5A1IGF1RPPARGPPARAMET
SCHEMBL13449337 0.84 HSD17B13 (0.39) IGF1RPPARGPPARAMET
SCHEMBL2269759 0.84 MET (0.47) IRAK1IRAK4IGF1RMET
SCHEMBL13449373 0.84 IRAK1 (0.37) IRAK1IRAK4SLC5A1CACNA1H

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
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
EP-2515657-A1 TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-10-31 EP 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
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 IRAK1 584/4885IRAK4 629/4885SLC5A1 2779/4885

“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.