SCHEMBL16699369

SCHEMBL16699369

CCOC(=O)c1coc(-c2ccnc(N)c2)n1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.50
DBF4 Q9UBU7 1/20 0.50
IRAK4 Q9NWZ3 14/20 0.45
CDK5 Q00535 1/20 0.45
CDK5R1 Q15078 1/20 0.45
S1PR1 P21453 2/20 0.44
S1PR3 Q99500 1/20 0.44
ALDH1A1 P00352 2/20 0.44
POLB P06746 1/20 0.44
MAPK1 P28482 1/20 0.44
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL29612661 0.88 IRAK4 (0.52) CDC7DBF4IRAK4
SCHEMBL20594857 0.88 IRAK4 (0.52) CDC7DBF4IRAK4
SCHEMBL12800248 0.86 IRAK4 (0.49) IRAK4
SCHEMBL16898781 0.85 CYP1A2 (0.41) CDC7DBF4IRAK4ALDH1A1POLB
SCHEMBL29692702 0.85 CYP1A2 (0.41) CDC7DBF4IRAK4ALDH1A1POLB
SCHEMBL26706283 0.84 IRAK4 (0.45) CDC7DBF4IRAK4CDK5CDK5R1
SCHEMBL23110723 0.83 CDK5 (0.44) CDC7DBF4IRAK4CDK5CDK5R1
SCHEMBL12571352 0.82 CDC7 (0.51) CDC7DBF4ALDH1A1
SCHEMBL22347414 0.81 SMN1; SMN2 (0.57) ALDH1A1POLBMAPK1MEN1NPC1
SCHEMBL21070304 0.81 IRAK4 (0.47) CDC7DBF4IRAK4CDK5CDK5R1

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
EP-3066094-B1 PYRAZOLE FOR THE TREATMENT AUTOIMMUNE DISORDERS TAKEDA PHARMACEUTICALS CO (JP) 2020-01-08 EP disclosed
US-9890145-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-02-13 US disclosed
US-20160311811-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-10-27 US disclosed
EP-3066094-A1 PYRAZOLE FOR THE TREATMENT AUTOIMMUNE DISORDERS Takeda Pharmaceutical Company Limited (JP) 2016-09-14 EP disclosed
US-9321757-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-04-26 US disclosed
WO-2015068856-A1 PYRAZOLE FOR THE TREATMENT AUTOIMMUNE DISORDERS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-14 WO disclosed
US-20150133451-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-14 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 (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-20160311811-A1 HETEROCYCLIC COMPOUND IRAK4, IRAK1, IRAK2 CDC7 2506/4885DBF4 733/4885IRAK4 1/4885
US-20150133451-A1 HETEROCYCLIC COMPOUND IRAK4, IRAK1, IRAK2 CDC7 2506/4885DBF4 733/4885IRAK4 1/4885

“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.