SCHEMBL14722176

SCHEMBL14722176

C[Si](C)(C)CCOCn1c(-c2ccc(N3CCOCC3)nc2)cc2c(Cl)c(C(F)(F)F)cnc21

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 3/20 0.41
CNR2 P34972 7/20 0.40
PTK2 Q05397 1/20 0.39
METAP2 P50579 1/20 0.38
PIK3CA P42336 1/20 0.37
SOAT1 P35610 1/20 0.37
KCNH2 Q12809 1/20 0.37
SYK P43405 1/20 0.36
PDE10A Q9Y233 1/20 0.36
PIK3CB P42338 1/20 0.36
TDO2 P48775 1/20 0.35
AOC3 Q16853 1/20 0.35

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
SCHEMBL17289994 0.84 CNR2 (0.43) DGAT1CNR2PDE10ATDO2
SCHEMBL16967499 0.82 DGAT1 (0.36) DGAT1
SCHEMBL14723503 0.80 PTK2 (0.66) PTK2
SCHEMBL14722573 0.78 MAPT (0.37) DGAT1
SCHEMBL30469343 0.78 AAK1 (0.34) PIK3CAPIK3CB
SCHEMBL14732935 0.76 DGAT1 (0.38) DGAT1
SCHEMBL14722388 0.75 DGAT1 (0.35) DGAT1
SCHEMBL31271158 0.73 MEN1 (0.41) PDE10A
SCHEMBL31270915 0.73 MEN1 (0.41) PDE10A
SCHEMBL16977979 0.71 DGAT1 (0.36) DGAT1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9249140-B2 Bicyclic heteroaromatic compounds MERCK PATENT GMBH (DE) 2016-02-02 US disclosed
US-9249140-B2 Bicyclic heteroaromatic compounds MERCK PATENT GMBH (DE) 2016-02-02 US disclosed
US-9249140-B2 Bicyclic heteroaromatic compounds MERCK PATENT GMBH (DE) 2016-02-02 US disclosed
US-20150218155-A1 BICYCLIC HETEROAROMATIC COMPOUNDS MERCK PATENT GMBH (DE) 2015-08-06 US disclosed
US-20150218155-A1 BICYCLIC HETEROAROMATIC COMPOUNDS MERCK PATENT GMBH (DE) 2015-08-06 US disclosed
US-20150218155-A1 BICYCLIC HETEROAROMATIC COMPOUNDS MERCK PATENT GMBH (DE) 2015-08-06 US disclosed
EP-2748164-A1 BICYCLIC HETEROAROMATIC COMPOUNDS Merck Patent GmbH (DE) 2014-07-02 EP disclosed
WO-2013026516-A1 BICYCLIC HETEROAROMATIC COMPOUNDS MERCK PATENT GMBH (DE) 2013-02-28 WO disclosed
WO-2013026516-A1 BICYCLIC HETEROAROMATIC COMPOUNDS MERCK PATENT GMBH (DE) 2013-02-28 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-20150218155-A1 BICYCLIC HETEROAROMATIC COMPOUNDS CDK1, CDK2, CDK4 DGAT1 4530/4885CNR2 1233/4885PTK2 1291/4885

“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.