SCHEMBL569456

SCHEMBL569456

CC(C)n1nc(-c2ccc(OCc3ccccc3)cn2)c2ncccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.41
ABL1 P00519 1/20 0.41
CMKLR1 Q99788 1/20 0.39
PDE1A P54750 1/20 0.39
PDE1B Q01064 1/20 0.39
PDE1C Q14123 1/20 0.39
P4HTM Q9NXG6 1/20 0.38
CYP3A4 P08684 1/20 0.38
HRH3 Q9Y5N1 1/20 0.36
MEN1 O00255 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
KMT2A Q03164 2/20 0.36
ATM Q13315 1/20 0.35
DGAT1 O75907 1/20 0.35
MAPK1 P28482 1/20 0.35
BCHE P06276 1/20 0.35
MAPT P10636 1/20 0.35
PRMT5 O14744 1/20 0.35
CYP4F2 P78329 2/20 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
SCHEMBL570130 0.83 P4HTM (0.39) P4HTMCYP3A4MEN1NPC1RAB9A
SCHEMBL569141 0.71 ITK (0.45) SRCABL1P4HTMCYP3A4PRMT5
SCHEMBL571162 0.71 CMKLR1 (0.47) SRCABL1CMKLR1PDE1APDE1B
SCHEMBL12473780 0.71 P4HTM (0.44) P4HTMHRH3NPC1RAB9ADGAT1
SCHEMBL20653207 0.70 P4HTM (0.54) P4HTMCYP3A4RAB9AMAPTCYP4F2
SCHEMBL228033 0.65 P4HTM (0.58) P4HTMCYP3A4RAB9AMAPK1BCHE
SCHEMBL12473782 0.65 P4HTM (0.45) P4HTMMEN1NPC1RAB9AKMT2A
SCHEMBL14261611 0.64 MEN1 (0.51) P4HTMHRH3MEN1NPC1RAB9A
SCHEMBL28891534 0.64 P4HTM (0.56) P4HTMMEN1RAB9AKMT2AMAPK1
SCHEMBL28891537 0.64 P4HTM (0.56) P4HTMMEN1RAB9AKMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2601192-B1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICALS CO (JP) 2017-03-01 EP disclosed
US-9029536-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-12 US disclosed
US-20130172292-A1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-04 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-20130172292-A1 FUSED HETEROCYCLIC COMPOUNDS PDE10A, PDE3A, PDE2A SRC 2147/4885ABL1 1397/4885CMKLR1 3522/4885

“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.