SCHEMBL3263422

SCHEMBL3263422

Nc1cn2nc(-c3ccccc3)ccc2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.49
KDM4E B2RXH2 3/20 0.47
HSD17B10 Q99714 1/20 0.47
ALDH1A1 P00352 4/20 0.44
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.44
ASIC3 Q9UHC3 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
FGFR1 P11362 2/20 0.44
KDR P35968 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GAA P10253 1/20 0.44
PLK4 O00444 1/20 0.44
JAK2 O60674 1/20 0.44
RET P07949 1/20 0.44
PIM1 P11309 1/20 0.44
FLT1 P17948 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
SCHEMBL18134782 0.86 DYRK1A (0.67) DYRK1AJAK2AKT1PIK3CAMTOR
SCHEMBL3236368 0.84 FYN (0.51) DYRK1AADORA2AAKT1PIK3CAMTOR
SCHEMBL12673618 0.83 FYN (0.51) ADORA2AADORA1
SCHEMBL11043630 0.81 DYRK1A (0.45) DYRK1AKDRAKT1PIK3CAMTOR
SCHEMBL3264279 0.81 ALDH1A3 (0.49) DYRK1AKDM4EALDH1A1NPC1RAB9A
SCHEMBL12664018 0.80 TP53 (0.50) DYRK1AKDM4EHSD17B10ALDH1A1NPC1
SCHEMBL3237544 0.78 KCNH2 (0.55) JAK2AKT1PIK3CAMTORPIK3CG
SCHEMBL21663967 0.75 NPC1 (0.51) DYRK1AKDM4EHSD17B10ALDH1A1NPC1
SCHEMBL3232733 0.75 BRD4 (0.53) KDM4EHSD17B10ALDH1A1NPC1RAB9A
SCHEMBL798566 0.73 PIK3CG (0.50) DYRK1AAKT1PIK3CAMTORPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029619-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMTED (JP) 2010-02-04 US disclosed
US-20100029619-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMTED (JP) 2010-02-04 US disclosed
US-20100029619-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMTED (JP) 2010-02-04 US disclosed
WO-2010007099-A1 2-AMINOIMIDAZO[1,2-B]PYRIDAZINE DERIVATIVES AS PI3K INHIBITORS CELLZOME LIMITED (GB) 2010-01-21 WO disclosed
EP-2058309-A1 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-05-13 EP 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-20100029619-A1 FUSED HETEROCYCLIC COMPOUND IRAK1, IL1R1, IRAK2 DYRK1A 1346/4885KDM4E 898/4885HSD17B10 2851/4885

“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.