SCHEMBL9984692

SCHEMBL9984692

CC(Nc1ccc([N+](=O)[O-])c(Nc2ccc3cn[nH]c3c2)n1)c1ccccn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSF1 Q00613 1/20 0.55
BRD4 O60885 6/20 0.48
SYK P43405 4/20 0.41
NTRK1 P04629 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDR P35968 2/20 0.40
MAPK1 P28482 5/20 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
ROCK2 O75116 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
EGFR P00533 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
SCHEMBL9985271 0.93 HSF1 (0.66) HSF1BRD4SYKNTRK1KDR
SCHEMBL6788960 0.85 HSF1 (0.66) HSF1BRD4SYKNTRK1L3MBTL1
SCHEMBL6786386 0.82 HSF1 (0.61) HSF1BRD4SYKNTRK1L3MBTL1
SCHEMBL6786383 0.81 HSF1 (0.58) HSF1BRD4SYKNTRK1L3MBTL1
SCHEMBL27614647 0.81 HSF1 (0.58) HSF1BRD4SYKNTRK1L3MBTL1
SCHEMBL9985581 0.81 HSF1 (0.60) HSF1BRD4SYKNTRK1L3MBTL1
SCHEMBL9985583 0.81 HSF1 (0.60) HSF1BRD4SYKNTRK1L3MBTL1
SCHEMBL6790142 0.80 HSF1 (0.55) HSF1BRD4SYKNTRK1L3MBTL1
SCHEMBL6782800 0.80 HSF1 (0.83) HSF1BRD4SYKNTRK1L3MBTL1
SCHEMBL9984689 0.79 HSF1 (0.53) HSF1BRD4SYKNTRK1L3MBTL1

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 2172/4885SYK 782/4885

“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.