SCHEMBL2218909

SCHEMBL2218909

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

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MET P08581 10/20 0.33
ALKBH1 Q13686 1/20 0.31
IGF1R P08069 5/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
HSD17B13 Q7Z5P4 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
SCHEMBL2265508 0.91 MET (0.34) METIGF1RPPARGPPARAHSD17B13
SCHEMBL2220153 0.90 MET (0.35) METALKBH1PPARGPPARAHSD17B13
SCHEMBL12517938 0.88 ALKBH1 (0.39) ALKBH1PPARGPPARA
SCHEMBL13275026 0.88 SYK (0.33) METIGF1RPPARGPPARAHSD17B13
SCHEMBL2265443 0.88 PPARG (0.36) METIGF1RPPARGPPARAHSD17B13
SCHEMBL13275278 0.88 MET (0.39) METIGF1RPPARGPPARA
SCHEMBL2228967 0.86 MCHR1 (0.32) METALKBH1IGF1RPPARGPPARA
SCHEMBL2222454 0.85 MET (0.35) METIGF1RPPARGPPARAHSD17B13
SCHEMBL13449337 0.85 HSD17B13 (0.39) METIGF1RPPARGPPARAHSD17B13
SCHEMBL2266766 0.85 HSD17B13 (0.35) METIGF1RPPARGPPARAHSD17B13

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 MET 2/4885ALKBH1 3278/4885IGF1R 152/4885

“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.