SCHEMBL1606782

SCHEMBL1606782

CC1=C(c2cccnc2)[N]c2ccc(Cl)cc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 3/20 0.44
CYP1A2 P05177 3/20 0.41
CYP2C19 P33261 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 2/20 0.40
CYP2A6 P11509 2/20 0.40
GRM5 P41594 1/20 0.40
ROS1 P08922 1/20 0.40
CHRM1 P11229 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP11B1 P15538 2/20 0.39

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
SCHEMBL1605716 0.80 CYP11B2 (0.50) NPY5RCYP11B1CYP11B2
SCHEMBL16574106 0.75 CYP2A6 (0.51) NPY5RCYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL16982975 0.72 CYP2A6 (0.51) NPY5RCYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL7582709 0.72 CYP2A6 (0.53) NPY5RCYP1A2CYP2C19CYP3A4MAPT
SCHEMBL10976299 0.71 CYP11B2 (0.52) CYP1A2CYP2C19CYP3A4CYP2D6MAPT
SCHEMBL28115752 0.70 CYP2A6 (0.51) CYP1A2CYP2C19CYP3A4MAPTNPC1
Acetic Acid SCHEMBL27950053 0.70 MEN1 (0.48) CYP1A2CYP2C19CYP3A4CYP2D6MAPT
SCHEMBL3946385 0.69 IDO1 (0.53) NPY5RCYP1A2CYP2C19CYP3A4MAPT
SCHEMBL551225 0.69 CYP2A6 (0.62) NPY5RCYP1A2CYP3A4MAPTALDH1A1
SCHEMBL21508415 0.69 CHRM1 (0.47) NPY5RCYP1A2CYP2C19CYP3A4NPC1

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-9242963-B2 Organic compounds NOVARTIS AG (CH) 2016-01-26 US disclosed
US-20150210672-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2015-07-30 US disclosed
US-20140288126-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2014-09-25 US disclosed
US-8791141-B2 Organic compounds NOVARTIS AG (CH) 2014-07-29 US disclosed
US-8030334-B2 Organic compounds NOVARTIS AG (CH) 2011-10-04 US disclosed
EP-2307371-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2011-04-13 EP disclosed
US-20110082129-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-04-07 US disclosed
US-20100261698-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-10-14 US disclosed
WO-2009156462-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-30 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-20110082129-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 NPY5R 1230/4885CYP1A2 24/4885CYP2C19 12/4885
US-20100261698-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 NPY5R 1230/4885CYP1A2 24/4885CYP2C19 12/4885
US-20150210672-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 NPY5R 1119/4885CYP1A2 22/4885CYP2C19 10/4885
US-20140288126-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 NPY5R 1119/4885CYP1A2 22/4885CYP2C19 10/4885

“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.