SCHEMBL16489667

SCHEMBL16489667

C=C1C(C)=CC(c2nc3cnccc3n2Cc2ccc(F)c(F)c2)=CN1C

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.57
SOS1 Q07889 3/20 0.38
RPS6KA5 O75582 5/20 0.36
CYP11B2 P19099 1/20 0.36
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL16489661 0.90 BRD4 (0.53) BRD4SOS1RPS6KA5ATM
SCHEMBL16489647 0.86 BRD4 (0.53) BRD4CYP11B2ATM
SCHEMBL16489666 0.85 BRD4 (0.55) BRD4RPS6KA5ATM
SCHEMBL16489700 0.78 BRD4 (0.53) BRD4CYP11B2
SCHEMBL16489705 0.74 BRD4 (0.54) BRD4SOS1
SCHEMBL16489613 0.74 BRD4 (0.55) BRD4CYP11B2
SCHEMBL16489620 0.74 ALDH1A1 (0.56) BRD4
SCHEMBL16489645 0.73 BRD4 (0.56) BRD4
SCHEMBL16489494 0.73 BRD4 (1.00) BRD4
SCHEMBL16489655 0.72 BRD4 (0.56) BRD4

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 1346/4885SOS1 3350/4885RPS6KA5 410/4885
US-20150246919-A1 PYRIDINONES MKI67, XDH, CDK6 BRD4 1346/4885SOS1 3350/4885RPS6KA5 410/4885

“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.