SCHEMBL180866

SCHEMBL180866

Fc1cccc(Nc2ncc(Br)cn2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.54
GRM5 P41594 1/20 0.49
CDK4 P11802 1/20 0.46
CCND1 P24385 1/20 0.46
CCND2 P30279 1/20 0.46
CCND3 P30281 1/20 0.46
IDO1 P14902 1/20 0.45
TDO2 P48775 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HTT P42858 2/20 0.44
MAPT P10636 2/20 0.44
MAPK1 P28482 1/20 0.44
MKNK1 Q9BUB5 1/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL22191608 0.83 GRM5 (0.49) KDRGRM5CDK4CCND1CCND2
SCHEMBL3951217 0.82 LMNA (0.53) KDRGRM5CDK4IDO1TDO2
SCHEMBL18433891 0.80 HDAC3 (0.53) GRM5KDM4EAURKA
SCHEMBL22902684 0.80 GRM5 (0.47) KDRGRM5CDK4CCND1CCND2
SCHEMBL3949289 0.79 HDAC3 (0.64) KDRGRM5IDO1TDO2MEN1
SCHEMBL5504084 0.79 SYK (0.59) KDRMEN1KMT2AHTTMAPT
SCHEMBL30091782 0.79 HDAC3 (0.64) KDRGRM5IDO1TDO2MEN1
SCHEMBL3601052 0.79 HDAC3 (0.67) MAPTMAPK1KDM4EAURKA
SCHEMBL30313912 0.79 HDAC3 (0.67) MAPTMAPK1KDM4EAURKA
SCHEMBL3448706 0.79 SYK (0.50) KDRGRM5CDK4CCND1CCND2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2402319-B1 DGAT Inhibitors NOVARTIS AG (CH) 2017-08-30 EP disclosed
EP-2301923-B1 PYRIDINE DERIVATIVES AS DGAT INHIBITORS NOVARTIS AG (CH) 2016-06-08 EP disclosed
US-20150065517-A1 NEW COMPOUNDS NOVARTIS AG (CH) 2015-03-05 US disclosed
US-8912208-B2 (4-{4-[5-(benzooxazol-2-ylamino)-pyridin-2-yl]-phenyl}-cyclohexyl)-acetic acid useful for treating or preventing conditions or disorders associated with DGAT1 activity NOVARTIS AG (CH) 2014-12-16 US disclosed
US-8835451-B2 Compounds NOVARTIS AG (CH) 2014-09-16 US disclosed
EP-2418202-B1 (4-[4-[5-(substituted amino)-pyridin-2-yl]phenyl]-cyclohexyl)-acetic acid derivatives as DGAT inhibitors NOVARTIS AG (CH) 2014-01-29 EP disclosed
US-20130018074-A1 NEW COMPOUNDS NOVARTIS AG (CH) 2013-01-17 US disclosed
US-20130018054-A1 NEW COMPOUNDS NOVARTIS AG (CH) 2013-01-17 US disclosed
EP-2418202-A1 New compounds Novartis AG (CH) 2012-02-15 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-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
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 (4 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-20150065517-A1 NEW COMPOUNDS DGAT1, DGAT2, GBA1 KDR 4520/4885GRM5 2577/4885CDK4 3422/4885
US-20090247534-A1 NEW COMPOUNDS DGAT1, DGAT2, GBA1 KDR 4520/4885GRM5 2577/4885CDK4 3422/4885
US-20130018054-A1 NEW COMPOUNDS DGAT1, DGAT2, GBA1 KDR 4537/4885GRM5 2429/4885CDK4 3336/4885
US-20130018074-A1 NEW COMPOUNDS DGAT1, DGAT2, GBA1 KDR 4537/4885GRM5 2429/4885CDK4 3336/4885

“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.