SCHEMBL6793338

SCHEMBL6793338

CN1CCN(c2ccc([N+](=O)[O-])c(Nc3ccc4[nH]ncc4c3)n2)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSF1 Q00613 1/20 0.64
ROCK1 Q13464 6/20 0.52
FGFR1 P11362 3/20 0.52
WEE1 P30291 3/20 0.52
ALK Q9UM73 3/20 0.52
AURKA O14965 2/20 0.52
DAPK3 O43293 2/20 0.52
JAK2 O60674 2/20 0.52
PRKD3 O94806 2/20 0.52
MAP4K4 O95819 2/20 0.52
PAK4 O96013 2/20 0.52
NTRK1 P04629 2/20 0.52
LCK P06239 2/20 0.52
FYN P06241 2/20 0.52
CSF1R P07333 2/20 0.52
RET P07949 2/20 0.52
IGF1R P08069 2/20 0.52
MET P08581 2/20 0.52
PDGFRA P16234 2/20 0.52
PRKACA P17612 2/20 0.52

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
SCHEMBL6788873 0.92 HSF1 (0.53) HSF1ROCK1FGFR1WEE1ALK
SCHEMBL6789036 0.89 HSF1 (0.62) HSF1ROCK1ROCK2
SCHEMBL9985204 0.89 HSF1 (0.57) HSF1ROCK1FGFR1WEE1ALK
SCHEMBL9984487 0.87 HSF1 (0.59) HSF1ROCK1ROCK2
SCHEMBL6787562 0.87 HSF1 (0.59) HSF1ROCK1EGFRROCK2TRPV1
SCHEMBL6787116 0.85 HSF1 (0.70) HSF1ROCK1FGFR1WEE1ALK
SCHEMBL9985473 0.85 HSF1 (0.62) HSF1ROCK1FGFR1WEE1ALK
SCHEMBL9985436 0.85 HSF1 (0.62) HSF1ROCK1ROCK2
SCHEMBL6787557 0.81 HSF1 (0.52) HSF1ROCK1PDGFRAPDGFRBROCK2
SCHEMBL6786629 0.81 HSF1 (0.48) HSF1FGFR1PDGFRAPDGFRBEGFR

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 3 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
US-6743795-B1 INHIBITORS FOR HEPATITIS B AND ACQUIRED IMMUNE DEFICIENCY SYNDROME (AIDS) BECAUSE THEY INTERFERE WITH REMOVAL OF RNA STRAND FROM RNA-DNA HYBRID FORMED DURING THE REVERSE TRANSCRIPTION OF VIRAL RNA TO DNA DONG WHA PHARM. IND. CO. LTD. (KR) 2004-06-01 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 4573/4885ROCK1 1344/4885FGFR1 2903/4885

“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.