SCHEMBL16489583

SCHEMBL16489583

CC(Nc1nc(OC2CCN(C)CC2)ccc1N)c1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.46
ADORA2B P29275 12/20 0.40
ADORA2A P29274 12/20 0.40
TLR7 Q9NYK1 1/20 0.39
CDK9 P50750 1/20 0.38
ADORA3 P0DMS8 2/20 0.37
HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL16489589 0.89 BRD4 (0.42) BRD4ADORA2BADORA2ATLR7ADORA3
SCHEMBL16489584 0.84 BRD4 (0.45) BRD4ADORA2BADORA2AADORA3
SCHEMBL16489587 0.78 TLR7 (0.43) BRD4ADORA2BADORA2ATLR7ADORA3
SCHEMBL16489588 0.78 TLR7 (0.43) BRD4ADORA2BADORA2ATLR7ADORA3
SCHEMBL2743227 0.70 PDE3B (0.50) HRH3
SCHEMBL8001798 0.67 HRH4 (0.54)
SCHEMBL12411138 0.66 CHRM2 (0.39) CDK9HRH3
SCHEMBL31364962 0.66 TLR7 (0.44) ADORA2BADORA2ATLR7ADORA3
SCHEMBL4494704 0.66 NOS3 (0.50) CDK9HRH3
SCHEMBL23708521 0.64 PDE3B (0.55)

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-9296748-B2 Pyridinones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-03-29 US disclosed
US-9296748-B2 Pyridinones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-03-29 US disclosed
US-20150246919-A1 PYRIDINONES BOEHRINGER INGELHEIM INT (DE) 2015-09-03 US disclosed
US-20150246919-A1 PYRIDINONES BOEHRINGER INGELHEIM INT (DE) 2015-09-03 US disclosed
US-20150051208-A1 PYRIDINONES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-19 US disclosed
WO-2015022332-A1 PYRIDINONES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-19 WO disclosed
US-20150051208-A1 PYRIDINONES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-19 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-20150051208-A1 PYRIDINONES MKI67, XDH, CDK6 BRD4 1346/4885ADORA2B 305/4885ADORA2A 365/4885
US-20150246919-A1 PYRIDINONES MKI67, XDH, CDK6 BRD4 1346/4885ADORA2B 305/4885ADORA2A 365/4885

“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.