SCHEMBL2222243

SCHEMBL2222243

COC(=O)c1cnc(-c2cccc(B3OC(C)(C)C(C)(C)O3)c2)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.41
LIPG Q9Y5X9 3/20 0.40
KDR P35968 2/20 0.40
PDGFRB P09619 1/20 0.40
CDK8 P49336 1/20 0.39
LPL P06858 2/20 0.38
PSMD14 O00487 1/20 0.38
LIPE Q05469 1/20 0.38
CYP19A1 P11511 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ABL1 P00519 1/20 0.37
BCR P11274 1/20 0.37
SRC P12931 1/20 0.37
FGFR3 P22607 1/20 0.37
HIF1A Q16665 1/20 0.37
GABRA5 P31644 2/20 0.37
GABRG2 P18507 1/20 0.37

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
SCHEMBL1950009 0.88 CDK8 (0.46) DGAT1KDRPDGFRBCDK8ALDH1A1
SCHEMBL13830808 0.85 CA12 (0.48) LIPGCDK8LPLGABRA5GABRG2
SCHEMBL255643 0.82 CLK4 (0.44) DGAT1LIPGPDGFRBLPLMAPT
SCHEMBL2269463 0.82 PDGFRB (0.46) DGAT1LIPGKDRPDGFRBLPL
SCHEMBL1902494 0.82 LOXL2 (0.45) LIPGLPLALDH1A1HIF1AMAPT
SCHEMBL29535925 0.82 LOXL2 (0.45) LIPGLPLALDH1A1HIF1AMAPT
SCHEMBL12516536 0.79 NPC1 (0.44) DGAT1LIPGKDRPDGFRBMAPK1
SCHEMBL13275186 0.79 LIPG (0.43) DGAT1LIPGLPL
SCHEMBL12517907 0.79 PRMT5 (0.43) DGAT1KDRPDGFRBHIF1A
SCHEMBL12517468 0.79 ALPL (0.38) DGAT1LIPGKDRPDGFRBLPL

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 DGAT1 3494/4885LIPG 1808/4885KDR 131/4885

“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.