SCHEMBL16489702

SCHEMBL16489702

C=C1C(C)=CC(c2nc3cc(N)cnc3n2Cc2ccccc2)=CN1C

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 13/20 0.56
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TLR7 Q9NYK1 3/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL16489699 0.90 BRD4 (0.54) BRD4LMNACYP1A2CYP2C9CYP2C19
SCHEMBL16489695 0.88 BRD4 (0.56) BRD4LMNACYP1A2CYP2C9CYP2C19
SCHEMBL16489691 0.84 BRD4 (0.53) BRD4LMNACYP1A2CYP2C9CYP2C19
SCHEMBL16489655 0.83 BRD4 (0.56) BRD4LMNAALDH1A1
SCHEMBL16489610 0.83 BRD4 (0.55) BRD4LMNAALDH1A1HTT
SCHEMBL16489697 0.82 BRD4 (0.60) BRD4
SCHEMBL16489698 0.82 BRD4 (0.62) BRD4
SCHEMBL16489701 0.82 BRD4 (0.62) BRD4LMNACYP1A2CYP2C9CYP2C19
SCHEMBL16489696 0.81 BRD4 (0.61) BRD4
SCHEMBL16489645 0.80 BRD4 (0.56) BRD4LMNAALDH1A1

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 1346/4885LMNA 794/4885CYP1A2 203/4885
US-20150246919-A1 PYRIDINONES MKI67, XDH, CDK6 BRD4 1346/4885LMNA 794/4885CYP1A2 203/4885

“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.