SCHEMBL4267664

SCHEMBL4267664

NC(=O)C1=NN(O)C(N2CCC(Oc3ccncc3Br)CC2)S1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 5/20 0.40
MKNK1 Q9BUB5 3/20 0.34
MKNK2 Q9HBH9 3/20 0.34
ATR Q13535 4/20 0.34
PIM1 P11309 1/20 0.34
SCD O00767 4/20 0.33
CHUK O15111 2/20 0.32
UTS2R Q9UKP6 1/20 0.31
GPR119 Q8TDV5 1/20 0.31

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
SCHEMBL4267662 0.76 IKBKB (0.40) IKBKBATRPIM1SCD
SCHEMBL4100789 0.73 SCD (0.60) IKBKBSCD
SCHEMBL22051458 0.69 IKBKB (0.50) IKBKBMKNK1MKNK2CHUK
SCHEMBL20472448 0.67 IKBKB (0.48) IKBKBMKNK1MKNK2PIM1CHUK
SCHEMBL4743748 0.65 SCD (0.48) IKBKBSCDCHUK
SCHEMBL30465743 0.64 MKNK1 (0.53) IKBKBMKNK1MKNK2PIM1CHUK
SCHEMBL4094392 0.63 SCD (0.60) IKBKBSCD
SCHEMBL6012158 0.61 MKNK1 (0.48) IKBKBMKNK1MKNK2PIM1SCD
SCHEMBL4087727 0.60 SCD (0.41) IKBKBSCDCHUK
SCHEMBL29159564 0.60 CDK8 (0.47) PIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099200-A1 Azacyclohexane derivatives as inhibitors of stearoyl-coenzyme a delta-9 desaturase MERCK FROSST CANADA LTD. (CA) 2009-04-16 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 (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-20090099200-A1 Azacyclohexane derivatives as inhibitors of stearoyl-coenzyme a delta-9 desaturase SCD, SCD5, SREBF1 IKBKB 714/4885MKNK1 2117/4885MKNK2 3015/4885

“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.