SCHEMBL6793673

SCHEMBL6793673

O=[N+]([O-])c1ccc(NCc2cccnc2)nc1Nc1ccc2[nH]ncc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSF1 Q00613 1/20 0.65
DYRK1A Q13627 5/20 0.53
CLK4 Q9HAZ1 5/20 0.53
CLK1 P49759 4/20 0.53
CLK2 P49760 4/20 0.53
DYRK1B Q9Y463 3/20 0.53
BCL6 P41182 1/20 0.51
BCOR Q6W2J9 1/20 0.51
CDK2 P24941 3/20 0.47
CLK3 P49761 1/20 0.47
ALDH1A1 P00352 2/20 0.43
JAK3 P52333 1/20 0.43
IRAK4 Q9NWZ3 1/20 0.43
MAPT P10636 2/20 0.42
HTR6 P50406 2/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.41
ROCK2 O75116 4/20 0.41

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
SCHEMBL6783868 0.93 HSF1 (0.55) HSF1DYRK1ACLK4CLK1CLK2
SCHEMBL6782441 0.90 HSF1 (0.68) HSF1DYRK1ACLK4CLK1CLK2
SCHEMBL9986029 0.82 HSF1 (0.57) HSF1DYRK1ACLK4CLK1CLK2
SCHEMBL9984469 0.82 ALDH1A1 (0.47) BCL6BCORALDH1A1MAPTHTR6
SCHEMBL6909979 0.80 HSF1 (0.74) HSF1CLK4MAPTROCK2ROCK1
SCHEMBL9984038 0.79 PLK1 (0.50) BCL6BCORALDH1A1MAPTHTR6
SCHEMBL6786129 0.79 HSF1 (0.70) HSF1BCL6BCORJAK3IRAK4
SCHEMBL6783318 0.79 HSF1 (1.00) HSF1MAPTROCK2ROCK1KDR
SCHEMBL29695497 0.79 HSF1 (1.00) HSF1MAPTROCK2ROCK1KDR
SCHEMBL29380539 0.79 HSF1 (1.00) HSF1MAPTROCK2ROCK1KDR

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 4573/4885DYRK1A 2385/4885CLK4 2458/4885

“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.