SCHEMBL9985271

SCHEMBL9985271

CC(Nc1ccc([N+](=O)[O-])c(Nc2ccc3[nH]ncc3c2)n1)c1ccccn1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSF1 Q00613 1/20 0.66
BRD4 O60885 5/20 0.48
MAPKAPK2 P49137 2/20 0.41
SYK P43405 2/20 0.41
ROCK2 O75116 6/20 0.41
NTRK1 P04629 2/20 0.40
KDR P35968 5/20 0.40
ROCK1 Q13464 2/20 0.40
PLK4 O00444 1/20 0.40
CHEK1 O14757 1/20 0.40
MAPK13 O15264 1/20 0.40
PDPK1 O15530 1/20 0.40
DAPK3 O43293 1/20 0.40
DYRK3 O43781 1/20 0.40
JAK2 O60674 1/20 0.40
PRKD3 O94806 1/20 0.40
MAP4K4 O95819 1/20 0.40
PAK4 O96013 1/20 0.40
CHEK2 O96017 1/20 0.40
ABL1 P00519 1/20 0.40

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
SCHEMBL9984692 0.93 HSF1 (0.55) HSF1BRD4MAPKAPK2SYKROCK2
SCHEMBL6782658 0.85 HSF1 (0.78) HSF1BRD4MAPKAPK2SYKROCK2
SCHEMBL6793978 0.82 HSF1 (0.73) HSF1BRD4MAPKAPK2SYKROCK2
SCHEMBL6793973 0.81 HSF1 (0.69) HSF1BRD4MAPKAPK2SYKROCK2
SCHEMBL27595861 0.81 HSF1 (0.69) HSF1BRD4MAPKAPK2SYKROCK2
SCHEMBL9985056 0.81 HSF1 (0.71) HSF1BRD4MAPKAPK2SYKROCK2
SCHEMBL9985053 0.81 HSF1 (0.71) HSF1BRD4MAPKAPK2SYKROCK2
SCHEMBL29380539 0.80 HSF1 (1.00) HSF1BRD4MAPKAPK2ROCK2KDR
SCHEMBL29695497 0.80 HSF1 (1.00) HSF1BRD4MAPKAPK2ROCK2KDR
SCHEMBL6783318 0.80 HSF1 (1.00) HSF1BRD4MAPKAPK2ROCK2KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110306641-A1 NOVEL 2,6-SUBSTITUTED-3-NITROPYRIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL PREPARATION INCLUDING SAME DONG WHA PHARM. CO., LTD. (KR) 2011-12-15 US claimed
US-20110306641-A1 NOVEL 2,6-SUBSTITUTED-3-NITROPYRIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL PREPARATION INCLUDING SAME DONG WHA PHARM. CO., LTD. (KR) 2011-12-15 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-20110306641-A1 NOVEL 2,6-SUBSTITUTED-3-NITROPYRIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL PREPARATION INCLUDING SAME PTMS, NOS3, NOS1 HSF1 4573/4885BRD4 2172/4885MAPKAPK2 1379/4885

“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.