SCHEMBL2221056

SCHEMBL2221056

CC(C)(O)COc1cnc(-c2cccc(Cc3nn(-c4cc(F)c(F)c(F)c4)ccc3=O)c2)nc1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MET P08581 12/20 0.36
HSD17B13 Q7Z5P4 1/20 0.33
BRD4 O60885 1/20 0.32
CCL2 P13500 1/20 0.32
MCHR1 Q99705 2/20 0.32
FGFR3 P22607 2/20 0.32
KDR P35968 2/20 0.32
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 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
SCHEMBL13274652 0.93 MET (0.41) METHSD17B13MCHR1PPARGPPARA
SCHEMBL13274630 0.92 MET (0.36) METHSD17B13MCHR1
SCHEMBL13465517 0.89 MET (0.37) METHSD17B13MCHR1
SCHEMBL2364227 0.88 MET (0.46) METHSD17B13FGFR3KDR
SCHEMBL2220189 0.87 MET (0.38) MET
SCHEMBL13274597 0.87 MET (0.44) METPPARGPPARA
SCHEMBL13275033 0.87 MAPK14 (0.36) MET
SCHEMBL2223152 0.86 PDK2 (0.36) METHSD17B13MCHR1PPARGPPARA
SCHEMBL2264007 0.86 MET (0.49) METHSD17B13KDRPPARGPPARA
SCHEMBL13274560 0.86 MET (0.41) METHSD17B13MCHR1

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 MET 2/4885HSD17B13 3914/4885BRD4 880/4885

“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.