SCHEMBL2125995

SCHEMBL2125995

Cc1cc2ccccc2nc1-c1ccccc1F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MBNL1 Q9NR56 1/20 1.00
PDE10A Q9Y233 1/20 0.59
TDP1 Q9NUW8 1/20 0.49
ADORA2A P29274 1/20 0.45
NPC1 O15118 6/20 0.45
RAB9A P51151 4/20 0.45
MAPT P10636 4/20 0.44
KDM4E B2RXH2 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MEN1 O00255 2/20 0.44
TP53 P04637 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
KMT2A Q03164 2/20 0.44
HSD17B10 Q99714 2/20 0.44
PKM P14618 2/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL29985784 0.82 MBNL1 (0.70) MBNL1PDE10ATDP1ADORA2ANPC1
SCHEMBL22326435 0.81 PDE10A (0.77) MBNL1PDE10ATDP1NPC1RAB9A
SCHEMBL30462943 0.79 MBNL1 (0.66) MBNL1PDE10AADORA2ANPC1RAB9A
SCHEMBL17363620 0.77 MBNL1 (0.61) MBNL1ADORA2ANPC1RAB9AMAPT
SCHEMBL27993150 0.77 MBNL1 (0.62) MBNL1PDE10ATDP1ADORA2ANPC1
SCHEMBL28085639 0.76 PDE10A (0.74) MBNL1PDE10ATDP1ADORA2AMAPT
SCHEMBL8956231 0.76 MBNL1 (0.60) MBNL1ADORA2ANPC1RAB9AMAPT
SCHEMBL29942008 0.75 DHODH (0.62) MBNL1PDE10ABACE1DHODH
SCHEMBL8732571 0.75 DHODH (0.62) MBNL1PDE10ABACE1DHODH
SCHEMBL2125225 0.74 PDE10A (1.00) MBNL1PDE10ATDP1RAB9AMAPT

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
CN-112521333-A Synthesis method of chiral 2, 3-disubstituted tetrahydroquinoline derivative 中国科学院大连化学物理研究所 2021-03-19 CN disclosed
US-20120094972-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 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-20120094972-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, MALT1, BCL9 MBNL1 1806/4885PDE10A 3392/4885TDP1 2061/4885

“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.