SCHEMBL14131

SCHEMBL14131

Nc1nc2ccc(C(F)(F)F)cc2o1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 1/20 0.56
BACE1 P56817 1/20 0.50
EPHX2 P34913 2/20 0.47
SCN4A P35499 1/20 0.47
MAPT P10636 2/20 0.43
MAPK1 P28482 2/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
THRB P10828 1/20 0.43
ALOX15 P16050 1/20 0.43
KDM4E B2RXH2 2/20 0.42
PIM1 P11309 1/20 0.41
PIM2 Q9P1W9 1/20 0.41
ALDH1A1 P00352 2/20 0.40
NOS3 P29474 1/20 0.39
NOS2 P35228 1/20 0.39
LCK P06239 1/20 0.39
KIF11 P52732 1/20 0.38
IKBKB O14920 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL30238039 0.86 LMNA (0.56) PIK3CGBACE1EPHX2SCN4AMAPT
SCHEMBL17267541 0.86 LMNA (0.56) PIK3CGBACE1EPHX2SCN4AMAPT
SCHEMBL179511 0.82 PIK3CG (0.56) PIK3CGMAPTMAPK1LMNACYP1A2
SCHEMBL19914273 0.80 ALDH1A1 (0.56) BACE1EPHX2SCN4AMAPTKDM4E
SCHEMBL18935939 0.79 TLR9 (0.55) MAPTKDM4EALDH1A1IKBKBMEN1
SCHEMBL18755165 0.79 BACE1 (0.42) BACE1EPHX2SCN4AKDM4EPIM1
SCHEMBL31208302 0.79 BACE1 (0.42) BACE1EPHX2SCN4AKDM4EPIM1
SCHEMBL12805011 0.79 BACE1 (0.42) PIK3CGBACE1EPHX2SCN4AKDM4E
SCHEMBL2138359 0.78 EPHX2 (0.44) BACE1EPHX2SCN4AMAPTKDM4E
SCHEMBL21389736 0.77 PIK3CG (0.50) PIK3CGMAPTMAPK1LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10640476-B2 Bicyclic heteroaryl derivatives and preparation and uses thereof XW LABORATORIES INC. (KY) 2020-05-05 US disclosed
WO-2011047323-A2 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X PHARMACEUTICALS, INC. (US) 2011-04-21 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-10640476-B2 Bicyclic heteroaryl derivatives and preparation and uses thereof GRIN2A, GRIN2C, GRIN3A PIK3CG 1975/4885BACE1 592/4885EPHX2 1013/4885

“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.