SCHEMBL5583119

SCHEMBL5583119

CCn1nc(N)c2cc(C(F)(F)F)ccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.39
KCNH2 Q12809 1/20 0.39
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
BRD9 Q9H8M2 1/20 0.39
HTR1A P08908 1/20 0.37
DRD2 P14416 1/20 0.37
HTR7 P34969 1/20 0.37
HTR6 P50406 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA2B P29275 1/20 0.37
MAT2A P31153 1/20 0.36
KIF11 P52732 1/20 0.36
PKM P14618 1/20 0.36
RORA P35398 1/20 0.35
RORC P51449 1/20 0.35

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
SCHEMBL2661304 0.84 ICMT (0.36) MAT2AKIF11PKM
SCHEMBL17038931 0.82 PTGER4 (0.42) ADORA2APKM
SCHEMBL18015902 0.82 PSEN1 (0.45) CCR2KCNH2PSEN1PSEN2APH1B
SCHEMBL17968831 0.82 BRD9 (0.44) CCR2KCNH2PSEN1PSEN2APH1B
SCHEMBL2660965 0.80 SCN9A (0.41) HTR6MAT2AKIF11PKMRORA
SCHEMBL14380101 0.80 CNR1 (0.47) MAPT
SCHEMBL2634528 0.80 SCN9A (0.42) CCR2KCNH2MAT2AKIF11PKM
SCHEMBL30054489 0.80 SCN9A (0.42) CCR2KCNH2MAT2AKIF11PKM
SCHEMBL31052439 0.80 MAPT (0.41) ADORA2AADORA2BMAPTESR1
SCHEMBL17199372 0.79 PTGER4 (0.38) ADORA2APKM

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-20070244169-A1 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. 2007-10-18 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-20070244169-A1 GLUCOKINASE ACTIVATORS GCK, GCKR, GALK1 CCR2 4464/4885KCNH2 1372/4885PSEN1 3603/4885

“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.