SCHEMBL9985268

SCHEMBL9985268

O=[N+]([O-])c1ccc(NCCc2ccccn2)nc1Nc1ccc2[nH]ncc2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSF1 Q00613 1/20 0.63
PTK2 Q05397 1/20 0.47
PTK2B Q14289 1/20 0.47
PKM P14618 3/20 0.44
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
MAPKAPK2 P49137 2/20 0.41
PAK4 O96013 3/20 0.41
ROCK2 O75116 4/20 0.40
ROCK1 Q13464 4/20 0.40
EGFR P00533 3/20 0.40
KDR P35968 2/20 0.40
FLT1 P17948 2/20 0.40
JAK3 P52333 2/20 0.40
IRAK4 Q9NWZ3 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

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
SCHEMBL9984689 0.93 HSF1 (0.53) HSF1PTK2PTK2BPKMLMNA
SCHEMBL9984756 0.86 HSF1 (0.63) HSF1MAPTMAPKAPK2PAK4ROCK2
SCHEMBL6790142 0.84 HSF1 (0.55) HSF1PTK2PTK2BLMNAMAPT
SCHEMBL6786129 0.82 HSF1 (0.70) HSF1MAPTMAPKAPK2ROCK2ROCK1
SCHEMBL9985027 0.81 HSF1 (0.68) HSF1MAPTMAPKAPK2ROCK2ROCK1
SCHEMBL6236364 0.80 KDR (0.58) PTK2PTK2BMAPKAPK2PAK4ROCK2
SCHEMBL9984921 0.79 ALDH1A1 (0.46) PKMLMNAMAPTMAPK1ALDH1A1
SCHEMBL6782441 0.79 HSF1 (0.68) HSF1MAPTMAPKAPK2ROCK2ROCK1
SCHEMBL9985271 0.79 HSF1 (0.66) HSF1MAPKAPK2PAK4ROCK2ROCK1
SCHEMBL6909979 0.79 HSF1 (0.74) HSF1MAPTMAPKAPK2ROCK2ROCK1

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 4573/4885PTK2 524/4885PTK2B 839/4885

“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.