SCHEMBL16489707

SCHEMBL16489707

C=C1C(C)=CC(c2nc3cnc(N4CCOCC4)nc3n2[C@@H](C)c2ccccc2)=CN1C

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.60
CYP1A2 P05177 15/20 0.44
ALDH1A1 P00352 14/20 0.44
HSD17B10 Q99714 13/20 0.44
CASP1 P29466 9/20 0.44
CASP7 P55210 9/20 0.44
CYP2C9 P11712 8/20 0.44
CYP2C19 P33261 7/20 0.44
CYP3A4 P08684 7/20 0.44
GLA P06280 3/20 0.44
ALOX15 P16050 2/20 0.44
TSHR P16473 4/20 0.43
CLK4 Q9HAZ1 4/20 0.43
MAPK1 P28482 3/20 0.43
USP2 O75604 7/20 0.42
HIF1A Q16665 4/20 0.40
HPGD P15428 2/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 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
SCHEMBL16489703 0.88 BRD4 (0.62) BRD4
SCHEMBL16489657 0.83 BRD4 (0.61) BRD4
SCHEMBL16489656 0.83 BRD4 (0.61) BRD4
SCHEMBL16489704 0.81 BRD4 (0.59) BRD4CYP1A2ALDH1A1HSD17B10CASP1
SCHEMBL16489670 0.76 BRD4 (0.64) BRD4
SCHEMBL16489664 0.76 BRD4 (0.62) BRD4
SCHEMBL16489538 0.75 BRD4 (1.00) BRD4CYP1A2ALDH1A1HSD17B10CASP1
SCHEMBL16489676 0.73 BRD4 (0.62) BRD4
SCHEMBL16489662 0.73 BRD4 (0.56) BRD4MEN1KMT2A
SCHEMBL16489680 0.73 BRD4 (0.56) BRD4MEN1KMT2A

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 3 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-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

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 1346/4885CYP1A2 203/4885ALDH1A1 545/4885
US-20150246919-A1 PYRIDINONES MKI67, XDH, CDK6 BRD4 1346/4885CYP1A2 203/4885ALDH1A1 545/4885

“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.