SCHEMBL760713

SCHEMBL760713

Cn1ncnc1CC(N)(c1cccc(OC(F)(F)F)c1)c1cccc(OC(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALOX15 P16050 1/20 0.38
KCNH2 Q12809 4/20 0.37
DYRK1A Q13627 1/20 0.37
SCN10A Q9Y5Y9 1/20 0.37
CETP P11597 9/20 0.37
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
BCDIN3D Q7Z5W3 1/20 0.36
CCR6 P51684 2/20 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
SCHEMBL760935 0.78 CETP (0.34) KIF11KDM4EALOX15KCNH2CETP
SCHEMBL760934 0.78 CETP (0.34) KIF11KDM4EALOX15KCNH2CETP
SCHEMBL759517 0.77 CETP (0.52) KCNH2CETPCCR6
SCHEMBL759518 0.77 CETP (0.52) KCNH2CETPCCR6
SCHEMBL14533754 0.77 NOTUM (0.36) KCNH2CETP
SCHEMBL759631 0.76 KDR (0.42) CETP
SCHEMBL759867 0.73 CETP (0.58) CETP
SCHEMBL761426 0.73 CETP (0.59) KIF11KCNH2DYRK1ASCN10ACETP
SCHEMBL759706 0.72 CETP (0.59) KIF11CETP
SCHEMBL760082 0.70 CETP (0.44) KIF11KCNH2SCN10ACETPGABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8642576-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-02-04 US disclosed
US-20120322761-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-12-20 US disclosed
US-8304403-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-06 US disclosed
US-8304403-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-06 US disclosed
EP-1954668-B9 HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-03-21 EP disclosed
EP-1954668-B1 HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2011-09-28 EP disclosed
US-20100267669-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-10-21 US disclosed
US-20100267669-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-10-21 US disclosed
US-7790770-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-09-07 US disclosed
US-7790770-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-09-07 US disclosed
EP-1954668-A2 HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS Brystol-Myers Squibb Company (US) 2008-08-13 EP disclosed
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed
WO-2007062308-A2 HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-31 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 (3 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-20070135631-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 KIF11 4469/4885KDM4E 1618/4885ALOX15 1584/4885
US-20120322761-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 KIF11 4469/4885KDM4E 1618/4885ALOX15 1584/4885
US-20100267669-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 KIF11 4469/4885KDM4E 1618/4885ALOX15 1584/4885

“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.