SCHEMBL180993

SCHEMBL180993

FC(F)(F)c1ccc(Nc2cnc(Br)cn2)cn1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.48
BCR P11274 1/20 0.48
EPHX2 P34913 1/20 0.41
TRPV4 Q9HBA0 1/20 0.41
CYP2C9 P11712 1/20 0.39
SLC22A6 Q4U2R8 1/20 0.39
SLC22A8 Q8TCC7 1/20 0.39
SLC22A12 Q96S37 1/20 0.39
SLC22A11 Q9NSA0 1/20 0.39
BCDIN3D Q7Z5W3 1/20 0.36
APP P05067 1/20 0.36
TRPV1 Q8NER1 2/20 0.36
BACE2 Q9Y5Z0 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 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
SCHEMBL181010 0.83 ABL1 (0.46) ABL1BCREPHX2TRPV4CYP2C9
SCHEMBL180474 0.81 ABL1 (0.48) ABL1BCREPHX2TRPV4CYP2C9
SCHEMBL181112 0.78 ABL1 (0.57) ABL1BCREPHX2TRPV4CYP2C9
SCHEMBL17195464 0.76 GRM5 (0.43) SLC22A12BACE2
SCHEMBL26107386 0.75 ABL1 (0.48) ABL1BCREPHX2TRPV4TRPV1
SCHEMBL2484911 0.74 TAS2R14 (0.45)
SCHEMBL17396429 0.71 ABL1 (0.50) ABL1BCREPHX2TRPV4CYP2C9
SCHEMBL22212784 0.71 CYP2C9 (0.50) ABL1BCREPHX2TRPV4CYP2C9
SCHEMBL262560 0.71 TRPV4 (0.43) TRPV4
SCHEMBL29686705 0.70 NNMT (0.50) ABL1BCRCDK5CDK5R1

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2916839-B1 NOVEL COMPOUNDS AS DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2017-10-11 EP disclosed
EP-2916839-B1 NOVEL COMPOUNDS AS DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2017-10-11 EP disclosed
US-9624174-B2 Compounds as diacylglycerol acyltransferase inhibitors GLAXOSMITHKLINE LLC (US) 2017-04-18 US disclosed
US-9624174-B2 Compounds as diacylglycerol acyltransferase inhibitors GLAXOSMITHKLINE LLC (US) 2017-04-18 US disclosed
US-20160068487-A1 NOVEL COMPOUNDS AS DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS GLAXOSMITHKLINE LLC 2016-03-10 US disclosed
US-20160068487-A1 NOVEL COMPOUNDS AS DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS GLAXOSMITHKLINE LLC 2016-03-10 US disclosed
US-9221766-B2 Compounds as diacylglycerol acyltransferase inhibitors GLAXOSMITHKLINE LLC (US) 2015-12-29 US disclosed
US-9221766-B2 Compounds as diacylglycerol acyltransferase inhibitors GLAXOSMITHKLINE LLC (US) 2015-12-29 US disclosed
US-20150299138-A1 NOVEL COMPOUNDS AS DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS GLAXOSMITHKLINE LLC 2015-10-22 US disclosed
EP-2916839-A2 NOVEL COMPOUNDS AS DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS Glaxosmithkline LLC (US) 2015-09-16 EP disclosed
EP-2404905-A1 New compounds Novartis AG (CH) 2012-01-11 EP disclosed
EP-2402319-A1 DGAT Inhibitors Novartis AG (CH) 2012-01-04 EP disclosed
EP-2402320-A1 Anorectic agents Novartis AG (CH) 2012-01-04 EP disclosed
EP-2402318-A1 DGAT inhibitors Novartis AG (CH) 2012-01-04 EP disclosed
EP-2402317-A1 DGAT inhibitor Novartis AG (CH) 2012-01-04 EP disclosed
EP-2301923-A1 New compounds Novartis AG (CH) 2011-03-30 EP disclosed
US-20090247534-A1 NEW COMPOUNDS NOVARTIS AG (CH) 2009-10-01 US disclosed
CN-101415683-A Novel compounds NOVARTIS AG (CH) 2009-04-22 CN disclosed
EP-2004607-A2 NEW COMPOUNDS Novartis AG (CH) 2008-12-24 EP disclosed
WO-2007126957-A2 NEW COMPOUNDS NOVARTIS AG (CH) 2007-11-08 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-20090247534-A1 NEW COMPOUNDS DGAT1, DGAT2, GBA1 ABL1 3908/4885BCR 2341/4885EPHX2 1740/4885
US-20150299138-A1 NOVEL COMPOUNDS AS DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS DGAT1, DGAT2, LCAT ABL1 2193/4885BCR 1254/4885EPHX2 1177/4885
US-20160068487-A1 NOVEL COMPOUNDS AS DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS DGAT1, DGAT2, LCAT ABL1 2193/4885BCR 1254/4885EPHX2 1177/4885

“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.