SCHEMBL4292499

SCHEMBL4292499

NCCNC(=O)c1cc2cc[nH]c(=O)c2c2cc(Cl)c(Cl)cc12

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 16/20 0.48
ROCK2 O75116 2/20 0.45
MAOB P27338 2/20 0.41
CYP1A2 P05177 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 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
SCHEMBL4300434 0.90 CHEK1 (0.42) CHEK1ROCK2MAOB
SCHEMBL4297526 0.89 CHEK1 (0.57) CHEK1ROCK2MAOBCYP1A2TSHR
SCHEMBL4293979 0.88 MAOB (0.49) CHEK1MAOB
SCHEMBL4297557 0.85 CHEK1 (0.48) CHEK1MAOB
SCHEMBL4295221 0.84 CHEK1 (0.46) CHEK1MAOB
SCHEMBL4292158 0.84 CHEK1 (0.64) CHEK1MAOB
SCHEMBL4296236 0.84 CHEK1 (0.57) CHEK1MAOB
SCHEMBL4300854 0.81 CHEK1 (0.52) CHEK1
SCHEMBL4303002 0.81 CHEK1 (0.49) CHEK1MAOB
SCHEMBL4292415 0.80 CHEK1 (0.63) CHEK1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090258852-A1 Inhibitors of Checkpoint Kinases MERCK SHARP & DOHME CORP. 2009-10-15 US claimed
US-20090258852-A1 Inhibitors of Checkpoint Kinases MERCK SHARP & DOHME CORP. 2009-10-15 US disclosed
US-20090258852-A1 Inhibitors of Checkpoint Kinases MERCK SHARP & DOHME CORP. 2009-10-15 US disclosed
US-20090258852-A1 Inhibitors of Checkpoint Kinases MERCK SHARP & DOHME CORP. 2009-10-15 US disclosed
WO-2007008502-A2 INHIBITORS OF CHECKPOINT KINASES MERCK & CO., INC. (US) 2007-01-18 WO 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 (1 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-20090258852-A1 Inhibitors of Checkpoint Kinases CHEK1, CHEK2, CDKN1A CHEK1 1/4885ROCK2 1117/4885MAOB 4490/4885

“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.