SCHEMBL2117440

SCHEMBL2117440

O=P(O)(O)CNc1ccc2cc(-c3cccnc3)cc(-c3cccc4ccccc34)c2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.41
CYP11B1 P15538 2/20 0.39
RAB9A P51151 4/20 0.38
KDM4E B2RXH2 3/20 0.38
NPC1 O15118 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 3/20 0.38
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
CYP2C9 P11712 4/20 0.38
CYP17A1 P05093 1/20 0.38
CYP19A1 P11511 1/20 0.38
CYP11B2 P19099 1/20 0.38
LMNA P02545 1/20 0.37
DYRK3 O43781 1/20 0.36
JAK2 O60674 1/20 0.36
ROCK2 O75116 1/20 0.36
PRKD3 O94806 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
SCHEMBL2116272 0.86 PDE10A (0.37) PDE10ACYP11B1RAB9AKDM4ENPC1
SCHEMBL2116613 0.83 ACP3 (0.30) HDAC6PIM1
SCHEMBL2118237 0.81 ACP3 (0.40) MAPTHDAC6PIM1MEN1KMT2A
SCHEMBL2116500 0.81 FDPS (0.35) ALDH1A1MAPTHPGDHDAC6PIM1
SCHEMBL2119256 0.81 ACP3 (0.35) KDM4EMAPTHDAC6PIM1MEN1
SCHEMBL2120566 0.77 MAPT (0.40) RAB9AKDM4ENPC1ALDH1A1MAPT
SCHEMBL13689514 0.76 CYP11B1 (0.47) CYP11B1RAB9AKDM4ENPC1L3MBTL1
SCHEMBL22024953 0.68 CYP11B1 (0.52) CYP11B1RAB9AKDM4ENPC1ALDH1A1
SCHEMBL14461186 0.68 CYP11B1 (0.62) CYP11B1RAB9AKDM4ENPC1ALDH1A1
SCHEMBL10296012 0.68 CYP11B1 (0.66) CYP11B1RAB9AKDM4ENPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120094958-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE NOVARTIS AG (CH) 2012-04-19 US claimed
US-20120094958-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE NOVARTIS AG (CH) 2012-04-19 US disclosed
US-20120094958-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE NOVARTIS AG (CH) 2012-04-19 US disclosed
US-20120094958-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE NOVARTIS AG (CH) 2012-04-19 US disclosed
EP-2250152-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE Novartis AG (CH) 2010-11-17 EP disclosed
WO-2009106586-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE NOVARTIS AG (CH) 2009-09-03 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 (1 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-20120094958-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE FDPS, GGPS1, CTPS1 PDE10A 2109/4885CYP11B1 728/4885RAB9A 1148/4885

“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.