SCHEMBL4857543

SCHEMBL4857543

O=C1Nc2cc(C(F)(F)F)ccc2Nc2cc(Cl)ccc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 4/20 0.60
JUN P05412 4/20 0.56
NFKB1 P19838 4/20 0.56
NFKB2 Q00653 4/20 0.56
RELA Q04206 4/20 0.56
CES1 P23141 2/20 0.51
TDP2 O95551 2/20 0.44
TGM2 P21980 1/20 0.44
PPOX P50336 1/20 0.44
KCNQ3 O43525 1/20 0.42
KCNQ2 O43526 1/20 0.42
KCNQ4 P56696 1/20 0.42
KCNMA1 Q12791 1/20 0.42
KCNQ5 Q9NR82 1/20 0.42
ACE2 Q9BYF1 1/20 0.41
CSNK1G1 Q9HCP0 1/20 0.39
CDC7 O00311 1/20 0.38
ROCK2 O75116 1/20 0.38
MAP4K4 O95819 1/20 0.38
PRKACA P17612 1/20 0.38

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
SCHEMBL4852321 0.83 CHEK1 (0.61) CHEK1JUNNFKB1NFKB2RELA
SCHEMBL4857064 0.83 CHEK1 (0.61) CHEK1JUNNFKB1NFKB2RELA
SCHEMBL29486043 0.83 ACVR1 (0.56) CHEK1JUNNFKB1NFKB2RELA
SCHEMBL22748875 0.83 ACVR1 (0.56) CHEK1JUNNFKB1NFKB2RELA
SCHEMBL4850794 0.81 CHEK1 (0.55) CHEK1JUNNFKB1NFKB2RELA
SCHEMBL4858764 0.80 CHEK1 (0.53) CHEK1JUNNFKB1NFKB2RELA
SCHEMBL4855620 0.80 CHEK1 (0.58) CHEK1JUNNFKB1NFKB2RELA
SCHEMBL4858805 0.80 CHEK1 (0.58) CHEK1JUNNFKB1NFKB2RELA
SCHEMBL4857644 0.80 CHEK1 (0.58) CHEK1JUNNFKB1NFKB2RELA
SCHEMBL4856208 0.80 CHEK1 (0.53) CHEK1JUNNFKB1NFKB2RELA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1606268-B1 5,10-DIHYDRO-11H-DIBENZO[B,E][1,4]DIAZEPIN-11-ONE AS KINASE INHIBITORS ABBVIE INC (US) 2015-05-20 EP disclosed
US-7456169-B2 Heterocyclic kinase inhibitors ABBOTT LABORATORIES INC. (US) 2008-11-25 US disclosed
US-20070254867-A1 Heterocyclic Kinase Inhibitors ABBVIE INC. 2007-11-01 US disclosed
US-20040254159-A1 Heterocyclic kinase inhibitors ABBOTT LABORATORIES 2004-12-16 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-20040254159-A1 Heterocyclic kinase inhibitors MAP3K20, MAP3K19, MAP3K1 CHEK1 46/4885JUN 1318/4885NFKB1 1492/4885
US-20070254867-A1 Heterocyclic Kinase Inhibitors MAP3K20, MAP3K19, MAP4K2 CHEK1 38/4885JUN 1230/4885NFKB1 1447/4885

“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.