SCHEMBL2220822

SCHEMBL2220822

Cc1cnc(-c2cccc(B3OC(C)(C)C(C)(C)O3)c2)s1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 8/20 0.42
LPL P06858 7/20 0.42
IRAK4 Q9NWZ3 1/20 0.39
SNCA P37840 1/20 0.36
MET P08581 1/20 0.36
HSD17B1 P14061 3/20 0.35
HSD17B2 P37059 3/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
PDGFRB P09619 1/20 0.35
KDR P35968 1/20 0.35
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
DGAT1 O75907 1/20 0.34
EGFR P00533 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34

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
SCHEMBL12516279 0.80 LIPG (0.43) LIPGLPLIRAK4SNCAHSD17B1
SCHEMBL12516536 0.78 NPC1 (0.44) LIPGSNCAHSD17B1HSD17B2PDGFRB
SCHEMBL806784 0.77 LIPG (0.60) LIPGLPLIRAK4EGFR
SCHEMBL13274897 0.77 LIPG (0.47) LIPGLPLKDR
SCHEMBL3576361 0.76 ALDH1A1 (0.55) LIPGLPLNPC1RAB9ASMN1; SMN2
SCHEMBL31456342 0.76 LIPG (0.58) LIPGLPLIRAK4EGFR
SCHEMBL20023287 0.76 LIPG (0.58) LIPGLPLIRAK4EGFR
SCHEMBL31456345 0.76 LIPG (0.58) LIPGLPLIRAK4EGFR
SCHEMBL2147093 0.75 DGAT1 (0.45) LIPGLPLIRAK4SNCAPDGFRB
SCHEMBL15495620 0.74 LIPG (0.56) LIPGLPLIRAK4EGFR

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 5 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 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 LIPG 1808/4885LPL 3505/4885IRAK4 629/4885

“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.