SCHEMBL4281253

SCHEMBL4281253

[c]1ccccc1-c1ccc2nc(OCCN3CCOCC3)nc(N3CCOCC3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MKNK1 Q9BUB5 2/20 0.42
CYP2C19 P33261 5/20 0.41
ALDH1A1 P00352 5/20 0.41
TSHR P16473 4/20 0.41
MAPK1 P28482 4/20 0.41
HIF1A Q16665 4/20 0.41
CLK4 Q9HAZ1 4/20 0.41
CYP1A2 P05177 4/20 0.41
CYP3A4 P08684 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
LMNA P02545 3/20 0.41
TP53 P04637 2/20 0.41
EGLN1 Q9GZT9 1/20 0.41
PIK3CA P42336 2/20 0.41
CYP2D6 P10635 2/20 0.40
USP2 O75604 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
SCHEMBL430535 0.85 NPC1 (0.48) PDE10ANPC1RAB9AMKNK1CYP2C19
SCHEMBL428634 0.82 NPC1 (0.44) PDE10ANPC1RAB9AMKNK1CYP2C19
SCHEMBL422993 0.82 ACHE (0.49) PDE10ANPC1RAB9ACYP2C19ALDH1A1
SCHEMBL426124 0.81 ALDH1A1 (0.48) PDE10ANPC1RAB9ACYP2C19ALDH1A1
SCHEMBL423031 0.79 TDO2 (0.57) PDE10ACYP2C19ALDH1A1TSHRMAPK1
SCHEMBL429465 0.79 LMNA (0.47) PDE10ARAB9AMKNK1ALDH1A1TSHR
SCHEMBL426084 0.72 MTOR (0.43) NPC1MKNK1ALDH1A1HIF1ALMNA
SCHEMBL426132 0.72 CYP3A4 (0.46) PDE10ACYP2C19ALDH1A1TSHRMAPK1
SCHEMBL10160975 0.72 MTOR (0.43) PDE10AMKNK1ALDH1A1MEN1KMT2A
SCHEMBL427063 0.71 LMNA (0.49) PDE10ACYP2C19ALDH1A1TSHRMAPK1

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-7615552-B2 Fused heterocyclic compounds SYNTA PHARMACEUTICALS CORP. (US) 2009-11-10 US disclosed
US-20050250770-A1 Fused heterocyclic compounds LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2005-11-10 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-20050250770-A1 Fused heterocyclic compounds IL2, IL4, IL15 PDE10A 1696/4885NPC1 452/4885RAB9A 1228/4885

“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.