SCHEMBL4044624

SCHEMBL4044624

COc1nnc(-c2ncccn2)cc1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SQOR Q9Y6N5 6/20 0.51
TOP1 P11387 2/20 0.44
CLK4 Q9HAZ1 2/20 0.44
DYRK1A Q13627 1/20 0.44
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
TSHR P16473 1/20 0.42
ATM Q13315 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
DHODH Q02127 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CASP1 P29466 1/20 0.41
ACACA Q13085 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 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
SCHEMBL4039024 0.75 SQOR (0.47) SQORMAPTKMT2AMEN1TSHR
SCHEMBL13422264 0.72 DHODH (0.53) SQORMAPTKMT2AMEN1NPC1
SCHEMBL14985963 0.72 ALDH1A1 (0.59) SQORMAPTKMT2AMEN1TSHR
SCHEMBL4060924 0.71 SMARCA2 (0.50) SQORMAPTKMT2AMEN1TSHR
SCHEMBL4056518 0.69 DHODH (0.54) SQORMAPTKMT2AMEN1NPC1
SCHEMBL581809 0.69 SMN1; SMN2 (0.53) SQORMAPTKMT2AMEN1TSHR
SCHEMBL1752806 0.69 SQOR (0.53) SQORMAPTKMT2AMEN1TSHR
SCHEMBL581362 0.68 SMN1; SMN2 (0.51) SQORMAPTKMT2AMEN1TSHR
SCHEMBL17703511 0.68 SQOR (0.51) SQORMAPTKMT2ADHODHCASP1
SCHEMBL20743439 0.68 RAB9A (0.37) CLK4DYRK1AMAPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1319659-B1 TRIAZINONES AND MEDICINAL USE THEREOF EISAI R&D MAN CO LTD (JP) 2009-03-11 EP disclosed
US-20060189622-A1 Pyridazinone and triazinone compounds and use thereof as pharmaceutical preparations EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-08-24 US disclosed
US-20030225081-A1 Pyridazinones and triazinones and medicinal use thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2003-12-04 US disclosed
EP-1319659-A1 PYRIDAZINONES AND TRIAZINONES AND MEDICINAL USE THEREOF Eisai Co., Ltd. (JP) 2003-06-18 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 (2 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-20030225081-A1 Pyridazinones and triazinones and medicinal use thereof GRIK1, GRIK3, GRIK2 SQOR 1682/4885TOP1 2789/4885CLK4 2062/4885
US-20060189622-A1 Pyridazinone and triazinone compounds and use thereof as pharmaceutical preparations GRIK3, GRIK1, GRIK2 SQOR 1911/4885TOP1 3167/4885CLK4 1495/4885

“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.