SCHEMBL16489647

SCHEMBL16489647

C=C1C(C)=CC(c2nc3cnccc3n2Cc2ccccc2)=CN1C

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 7/20 0.53
ATM Q13315 1/20 0.43
CYP11B2 P19099 1/20 0.42
ALDH1A1 P00352 5/20 0.41
PDE6D O43924 1/20 0.41
ALDH2 P05091 1/20 0.41
ALDH3A1 P30838 1/20 0.41
KDM4E B2RXH2 3/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 2/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 3/20 0.40
TNF P01375 1/20 0.40
KCNK13 Q9HB14 1/20 0.39

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
SCHEMBL16489700 0.91 BRD4 (0.53) BRD4CYP11B2ALDH1A1PDE6DALDH2
SCHEMBL16489661 0.90 BRD4 (0.53) BRD4ATMALDH1A1TSHRTP53
SCHEMBL16489620 0.88 ALDH1A1 (0.56) BRD4ALDH1A1PDE6DALDH2ALDH3A1
SCHEMBL16489667 0.86 BRD4 (0.57) BRD4ATMCYP11B2
SCHEMBL16489666 0.85 BRD4 (0.55) BRD4ATMALDH1A1KDM4ELMNA
SCHEMBL16489645 0.84 BRD4 (0.56) BRD4ALDH1A1PDE6DALDH2ALDH3A1
SCHEMBL16489655 0.83 BRD4 (0.56) BRD4ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL16489648 0.81 BRD4 (0.58) BRD4ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL16489652 0.81 BRD4 (0.61) BRD4ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL16489613 0.80 BRD4 (0.55) BRD4CYP11B2ALDH1A1PDE6DALDH2

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 1346/4885ATM 3533/4885CYP11B2 270/4885
US-20150246919-A1 PYRIDINONES MKI67, XDH, CDK6 BRD4 1346/4885ATM 3533/4885CYP11B2 270/4885

“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.