SCHEMBL3236368

SCHEMBL3236368

Nc1cn2nc(-c3cccnc3)ccc2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 7/20 0.51
PIK3CA P42336 2/20 0.47
PIK3CG P48736 1/20 0.47
DYRK1A Q13627 1/20 0.46
HSP90AA1 P07900 1/20 0.45
HSP90AB1 P08238 1/20 0.45
PTK2 Q05397 1/20 0.45
CYP19A1 P11511 1/20 0.44
AKT1 P31749 1/20 0.43
MTOR P42345 1/20 0.43
F12 P00748 1/20 0.42
TLR8 Q9NR97 1/20 0.41
ADORA2A P29274 1/20 0.41
CYP2E1 P05181 2/20 0.41
CYP2A6 P11509 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2B6 P20813 2/20 0.41
CYP2C19 P33261 2/20 0.41
MET P08581 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL3263422 0.84 DYRK1A (0.49) PIK3CAPIK3CGDYRK1AAKT1MTOR
SCHEMBL11043630 0.83 DYRK1A (0.45) PIK3CAPIK3CGDYRK1AAKT1MTOR
SCHEMBL10849230 0.82 DYRK1A (0.68) FYNPIK3CAPIK3CGDYRK1ACYP19A1
SCHEMBL18134782 0.81 DYRK1A (0.67) FYNPIK3CAPIK3CGDYRK1AAKT1
SCHEMBL12673618 0.75 FYN (0.51) FYNADORA2A
SCHEMBL798566 0.74 PIK3CG (0.50) FYNPIK3CAPIK3CGDYRK1AAKT1
SCHEMBL10850315 0.74 DYRK1A (0.66) FYNDYRK1ACYP2E1CYP2A6CYP2C9
SCHEMBL14811752 0.73 F12 (0.45) PIK3CAPIK3CGF12CYP2A6CYP2C19
SCHEMBL1746565 0.73 DYRK3 (0.52) FYNPIK3CAPIK3CGDYRK1ACYP19A1
SCHEMBL12664198 0.73 PIK3CA (0.53) PIK3CAPIK3CG

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 7 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
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
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 FYN 420/4885PIK3CA 2525/4885PIK3CG 3281/4885

“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.