SCHEMBL2118877

SCHEMBL2118877

CCC(C)OP(=O)(O)c1ccc2cc(-c3cc4ccccc4[nH]3)cc(-c3cccc4ccccc34)c2n1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITK Q08881 5/20 0.33
PIM1 P11309 2/20 0.32
DPP4 P27487 1/20 0.31
RAB9A P51151 3/20 0.31
KDM4E B2RXH2 2/20 0.31
MAPT P10636 2/20 0.31
NPC1 O15118 2/20 0.31
CASP3 P42574 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
GABRA1 P14867 3/20 0.31
GABRG2 P18507 3/20 0.31
GABRB3 P28472 3/20 0.31

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
SCHEMBL2116715 0.87 PPARG (0.33) PPARGPPARAFDPSDHODH
SCHEMBL2117646 0.84 PPARG (0.32) PPARGPPARAFDPSDHODH
SCHEMBL2120112 0.84 NPC1 (0.38) ITKPIM1RAB9AKDM4EMAPT
SCHEMBL2116390 0.83 PIK3CA (0.35) RAB9AMAPTNPC1ALDH1A1HPGD
SCHEMBL2116914 0.82 PPARG (0.37) KDM4EHPGDPPARGPPARAFDPS
SCHEMBL2118872 0.82 KDM4E (0.36) ITKPIM1RAB9AKDM4EMAPT
SCHEMBL2116296 0.82 PSMB5 (0.33) PIM1KDM4EMAPTMEN1ALDH1A1
SCHEMBL2117123 0.82 FDPS (0.38) RAB9AKDM4ENPC1KMT2APPARG
SCHEMBL2115844 0.82 FDPS (0.34) KDM4EKMT2APPARGPPARAFDPS
SCHEMBL2119073 0.80 CNR1 (0.32) PPARGPPARAFDPS

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 ITK 4737/4885PIM1 2265/4885DPP4 4092/4885

“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.