SCHEMBL2265443

SCHEMBL2265443

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

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.36
PPARA Q07869 2/20 0.36
MET P08581 9/20 0.35
TAS2R8 Q9NYW2 1/20 0.35
IGF1R P08069 3/20 0.33
HSD17B13 Q7Z5P4 1/20 0.33

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
SCHEMBL13275278 0.92 MET (0.39) PPARGPPARAMETTAS2R8IGF1R
SCHEMBL2265508 0.92 MET (0.34) PPARGPPARAMETIGF1RHSD17B13
SCHEMBL2222454 0.90 MET (0.35) PPARGPPARAMETIGF1RHSD17B13
SCHEMBL12517938 0.90 ALKBH1 (0.39) PPARGPPARA
SCHEMBL2268190 0.90 PPARG (0.37) PPARGPPARAMETHSD17B13
SCHEMBL2228967 0.89 MCHR1 (0.32) PPARGPPARAMETIGF1RHSD17B13
SCHEMBL2263526 0.89 IGF1R (0.34) PPARGPPARAMETTAS2R8IGF1R
SCHEMBL13449337 0.89 HSD17B13 (0.39) PPARGPPARAMETTAS2R8IGF1R
SCHEMBL2218909 0.88 MET (0.33) PPARGPPARAMETIGF1RHSD17B13
SCHEMBL13275026 0.88 SYK (0.33) PPARGPPARAMETIGF1RHSD17B13

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 PPARG 2354/4885PPARA 3069/4885MET 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.