SCHEMBL16489666

SCHEMBL16489666

C=C1C(C)=CC(c2nc3cnccc3n2Cc2ccccc2F)=CN1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.55
TP53 P04637 5/20 0.45
GAA P10253 1/20 0.45
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 2/20 0.38
LMNA P02545 1/20 0.38
ATM Q13315 1/20 0.38
RPS6KA5 O75582 3/20 0.36
NOS2 P35228 2/20 0.36
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NPC1 O15118 2/20 0.35
ALDH1A1 P00352 2/20 0.35
TSHR P16473 2/20 0.35
CASP1 P29466 1/20 0.35
RAB9A P51151 1/20 0.35
MAPK1 P28482 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
SCHEMBL16489647 0.85 BRD4 (0.53) BRD4TP53MAPTSMN1; SMN2LMNA
SCHEMBL16489667 0.85 BRD4 (0.57) BRD4ATMRPS6KA5
SCHEMBL16489661 0.81 BRD4 (0.53) BRD4TP53KMT2AATMRPS6KA5
SCHEMBL16489700 0.77 BRD4 (0.53) BRD4TP53MAPTSMN1; SMN2HTT
SCHEMBL16489620 0.73 ALDH1A1 (0.56) BRD4TP53MAPTSMN1; SMN2HTT
SCHEMBL16489645 0.72 BRD4 (0.56) BRD4TP53MAPTSMN1; SMN2LMNA
SCHEMBL16489655 0.71 BRD4 (0.56) BRD4TP53MAPTSMN1; SMN2LMNA
SCHEMBL16489496 0.71 BRD4 (1.00) BRD4
SCHEMBL16489613 0.71 BRD4 (0.55) BRD4TP53MAPTSMN1; SMN2HTT
SCHEMBL16489648 0.70 BRD4 (0.58) BRD4TP53KMT2AMEN1MAPT

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 1346/4885TP53 1751/4885GAA 2242/4885
US-20150246919-A1 PYRIDINONES MKI67, XDH, CDK6 BRD4 1346/4885TP53 1751/4885GAA 2242/4885

“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.