SCHEMBL570130

SCHEMBL570130

CCn1nc(-c2ccc(OCc3ccccc3)cn2)c2ncccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 1/20 0.39
CYP3A4 P08684 1/20 0.38
NPC1 O15118 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ACSS2 Q9NR19 1/20 0.36
RAB9A P51151 2/20 0.36
ATM Q13315 1/20 0.36
DGAT1 O75907 1/20 0.36
MAPK1 P28482 1/20 0.36
MAPT P10636 1/20 0.35
PRMT5 O14744 1/20 0.35
PDE10A Q9Y233 1/20 0.35
CNR1 P21554 1/20 0.35
ACHE P22303 1/20 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
SCHEMBL569456 0.83 SRC (0.41) P4HTMCYP3A4NPC1MEN1KMT2A
SCHEMBL569941 0.80 ESR1 (0.39) NPC1KDM4ENPSR1RAB9AL3MBTL1
SCHEMBL570552 0.74 PDE1A (0.35) NPC1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL569141 0.72 ITK (0.45) P4HTMCYP3A4PRMT5CYP4F2CYP4A11
SCHEMBL20653207 0.71 P4HTM (0.54) P4HTMCYP3A4SMN1; SMN2KDM4ERAB9A
SCHEMBL570261 0.71 MEN1 (0.44) MEN1KMT2AKDM4EALDH1A1ATM
SCHEMBL12473782 0.70 P4HTM (0.45) P4HTMNPC1MEN1KMT2ASMN1; SMN2
SCHEMBL15064923 0.70 PIK3CD (0.47) NPC1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL15064667 0.66 FYN (0.37) MAOB
SCHEMBL228033 0.66 P4HTM (0.58) P4HTMCYP3A4SMN1; SMN2RAB9AMAPK1

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 P4HTM 2629/4885CYP3A4 1134/4885NPC1 3068/4885

“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.