SCHEMBL13239079

SCHEMBL13239079

Cc1ccc(Cn2ncc3nc[nH]c32)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 7/20 0.46
SMN1; SMN2 Q16637 6/20 0.46
ALDH1A1 P00352 4/20 0.46
GAA P10253 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
PKM P14618 2/20 0.40
MAPK1 P28482 1/20 0.40
LMNA P02545 6/20 0.39
NPC1 O15118 2/20 0.39
MAPT P10636 4/20 0.39
QPCT Q16769 1/20 0.39
NPBWR1 P48145 1/20 0.39
MCHR1 Q99705 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 3/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
NR2F2 P24468 1/20 0.36
HIF1A Q16665 1/20 0.36

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
SCHEMBL12597504 0.76 HTT (0.46) HTTSMN1; SMN2ALDH1A1GAAMEN1
SCHEMBL13239257 0.74 HTT (0.47) HTTSMN1; SMN2ALDH1A1GAAMEN1
SCHEMBL13218043 0.70 HTT (0.46) HTTSMN1; SMN2ALDH1A1GAAMEN1
SCHEMBL145302 0.66 NPC1 (0.57) HTTSMN1; SMN2ALDH1A1GAAMEN1
SCHEMBL17458867 0.66 SMN1; SMN2 (0.51) HTTSMN1; SMN2ALDH1A1GAAMEN1
SCHEMBL18324329 0.66 HTT (0.44) HTTSMN1; SMN2ALDH1A1GAAMEN1
SCHEMBL5530473 0.64 RECQL (0.75) HTTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL29459664 0.64 RECQL (0.75) HTTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL13238593 0.63 ALDH1A1 (0.39) ALDH1A1MEN1KMT2A
SCHEMBL16418007 0.62 BRD4 (0.48) HTTSMN1; SMN2ALDH1A1GAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180028660-A1 DRUG COMBINATIONS COMPRISING A DGAT INHIBITOR AND A PPAR-AGONIST JANSSEN PHARMACEUTICA NV (BE) 2018-02-01 US disclosed
US-9724418-B2 Drug combinations comprising a DGAT inhibitor and a PPAR-agonist JANSSEN PHARMACEUTICA NV (BE) 2017-08-08 US disclosed
US-9688696-B2 Piperidine/piperazine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2017-06-27 US disclosed
US-20170029440-A1 PIPERIDINE/PIPERAZINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2017-02-02 US disclosed
EP-2296659-B1 Drug combinations comprising a DGAT inhibitor and a PPAR-agonist JANSSEN PHARMACEUTICA NV (BE) 2016-12-21 EP disclosed
US-9120821-B2 Piperidine/piperazine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2015-09-01 US disclosed
US-20140350012-A1 PIPERIDINE/PIPERAZINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2014-11-27 US disclosed
US-20100216809-A1 PIPERIDINE/PIPERAZINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2010-08-26 US 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-20100216809-A1 PIPERIDINE/PIPERAZINE DERIVATIVES DGAT1, DGAT2, DLAT HTT 1395/4885SMN1; SMN2 4081/4885ALDH1A1 488/4885
US-20170029440-A1 PIPERIDINE/PIPERAZINE DERIVATIVES DGAT1, PAOX, DGAT2 HTT 1579/4885SMN1; SMN2 4254/4885ALDH1A1 590/4885
US-20180028660-A1 DRUG COMBINATIONS COMPRISING A DGAT INHIBITOR AND A PPAR-AGONIST PPARG, PPARA, DGAT1 HTT 2446/4885SMN1; SMN2 4874/4885ALDH1A1 585/4885
US-20140350012-A1 PIPERIDINE/PIPERAZINE DERIVATIVES DGAT1, PAOX, NNT HTT 1753/4885SMN1; SMN2 4154/4885ALDH1A1 629/4885

“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.