SCHEMBL2266766

SCHEMBL2266766

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

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD17B13 Q7Z5P4 1/20 0.35
IGF1R P08069 8/20 0.34
TAS2R8 Q9NYW2 2/20 0.33
MET P08581 3/20 0.32
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
EGLN1 Q9GZT9 2/20 0.31
TGFBR1 P36897 1/20 0.30
PIK3CG P48736 1/20 0.30
CREBBP Q92793 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
SCHEMBL13449337 0.90 HSD17B13 (0.39) HSD17B13IGF1RTAS2R8METPPARG
SCHEMBL2262998 0.89 HSD17B13 (0.38) HSD17B13IGF1RMETPPARGPPARA
SCHEMBL13275278 0.89 MET (0.39) IGF1RTAS2R8METPPARGPPARA
SCHEMBL2265508 0.89 MET (0.34) HSD17B13IGF1RMETPPARGPPARA
SCHEMBL12517938 0.88 ALKBH1 (0.39) PPARGPPARAEGLN1
SCHEMBL13275026 0.86 SYK (0.33) HSD17B13IGF1RMETPPARGPPARA
SCHEMBL2265443 0.86 PPARG (0.36) HSD17B13IGF1RTAS2R8METPPARG
SCHEMBL2221751 0.86 IGF1R (0.40) IGF1RMET
SCHEMBL13274906 0.85 IGF1R (0.34) IGF1RMETPPARGPPARACREBBP
SCHEMBL2218909 0.85 MET (0.33) HSD17B13IGF1RMETPPARGPPARA

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
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US 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 HSD17B13 3914/4885IGF1R 152/4885TAS2R8 4505/4885

“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.