SCHEMBL2116272

SCHEMBL2116272

CCC(C)OP(=O)(O)CNc1ccc2cc(-c3cccnc3)cc(-c3cccc4ccccc34)c2n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.37
LMNA P02545 2/20 0.33
CYP2C9 P11712 3/20 0.33
HDAC6 Q9UBN7 1/20 0.33
ADORA2A P29274 1/20 0.33
KDM4E B2RXH2 2/20 0.32
RAB9A P51151 2/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP11B1 P15538 2/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPC1 O15118 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
DYRK1A Q13627 1/20 0.32
USP1 O94782 1/20 0.32
WDR48 Q8TAF3 1/20 0.32
CYP19A1 P11511 1/20 0.32
CYP11B2 P19099 1/20 0.32
FNTA P49354 1/20 0.32

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
SCHEMBL2117440 0.86 PDE10A (0.41) PDE10ALMNACYP2C9HDAC6KDM4E
SCHEMBL2116381 0.85 PPARG (0.34) LMNAKDM4EALDH1A1MAPTHPGD
SCHEMBL2116767 0.84 DHODH (0.33) LMNAKDM4EALDH1A1MAPTHPGD
SCHEMBL2116896 0.84 FDPS (0.35) LMNAKDM4EALDH1A1MAPTHPGD
SCHEMBL2118421 0.84 NTSR1 (0.30)
SCHEMBL2116268 0.83 PDE10A (0.38) PDE10ALMNACYP2C9HDAC6ADORA2A
SCHEMBL2116331 0.81 MAPT (0.36) LMNAKDM4ERAB9AALDH1A1MAPT
SCHEMBL2116390 0.72 PIK3CA (0.35) LMNACYP2C9RAB9AALDH1A1MAPT
SCHEMBL2118431 0.71 GRM2 (0.35) CYP2C9ATM
SCHEMBL2120455 0.71 FDPS (0.38) LMNACYP2C9HDAC6RAB9AALDH1A1

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 1 patent. 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 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 2109/4885LMNA 1934/4885CYP2C9 1557/4885

“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.