SCHEMBL22016509

SCHEMBL22016509

CN[C@@H](c1ccc(C(F)(F)F)cc1)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.44
PDE2A O00408 4/20 0.42
ACP3 P15309 1/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
LMNA P02545 4/20 0.40
NPC1 O15118 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C19 P33261 2/20 0.40
MTOR P42345 2/20 0.40
RAB9A P51151 2/20 0.40
CYP3A4 P08684 2/20 0.40
SLC6A2 P23975 2/20 0.40
HTR2C P28335 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
TSHR P16473 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL22017080 0.83 PDE2A (0.46) KIF11PDE2AACP3CES2CES1
SCHEMBL22017349 0.83 PDE2A (0.46) KIF11PDE2AACP3CES2CES1
SCHEMBL22017352 0.83 PDE2A (0.46) KIF11PDE2AACP3CES2CES1
SCHEMBL25698227 0.81 CTSL (0.41) KMT2ALMNASLC6A4ACHEHTT
SCHEMBL1421212 0.80 OPRK1 (0.45) MEN1KMT2ALMNACYP2D6CYP2C19
SCHEMBL12797626 0.80 OPRK1 (0.45) MEN1KMT2ALMNACYP2D6CYP2C19
SCHEMBL31407276 0.79 CYP3A4 (0.54) KIF11MEN1KMT2ACYP2D6CYP2C19
SCHEMBL25975221 0.79 SLC6A4 (0.33) SLC6A4OPRK1
SCHEMBL21549470 0.79 ALDH1A1 (0.34) KIF11MEN1KMT2ANPC1RAB9A
SCHEMBL8285031 0.79 CTSK (0.43) CYP2D6CYP3A4SLC6A2SLC6A4SLC6A3

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-20200155538-A1 QUINOLINE DERIVATIVES GILEAD SCIENCES, INC. 2020-05-21 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-20200155538-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 KIF11 1911/4885PDE2A 267/4885ACP3 1160/4885

“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.