SCHEMBL9985382

SCHEMBL9985382

O=[N+]([O-])c1ccc(NCc2cccnc2)nc1Nc1ccc(-n2ccnc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.48
MAPT P10636 9/20 0.45
ALDH1A1 P00352 4/20 0.45
GAA P10253 3/20 0.45
HTR6 P50406 2/20 0.45
HTT P42858 1/20 0.45
NTRK1 P04629 1/20 0.45
PKM P14618 3/20 0.43
POLB P06746 1/20 0.43
BCL6 P41182 1/20 0.42
BCOR Q6W2J9 1/20 0.42
PDE5A O76074 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
LMNA P02545 2/20 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
SCHEMBL9985560 0.89 EGFR (0.45) EGFRMAPTPDE5ACYP3A4CYP2D6
SCHEMBL9984342 0.84 NTRK1 (0.65) MAPTALDH1A1GAAHTR6HTT
SCHEMBL9984038 0.82 PLK1 (0.50) MAPTALDH1A1GAAHTR6HTT
SCHEMBL9984416 0.81 EGFR (0.45) EGFRMAPTALDH1A1HTTCYP2C9
SCHEMBL9984707 0.80 HSF1 (0.52) EGFRMAPTHTTCYP3A4LMNA
SCHEMBL9984469 0.79 ALDH1A1 (0.47) EGFRMAPTALDH1A1GAAHTR6
SCHEMBL9985111 0.79 EGFR (0.43) EGFRMAPTALDH1A1HTTPOLB
SCHEMBL9984168 0.77 BRD4 (0.56) EGFRMAPTHTTCYP3A4CYP2C9
SCHEMBL6783868 0.77 HSF1 (0.55) MAPTALDH1A1GAAHTR6HTT
SCHEMBL6793673 0.77 HSF1 (0.65) MAPTALDH1A1GAAHTR6HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110306606-A1 NOVEL 2,6-SUBSTITUTED-3-NITROPYRIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME DONG WHA PHARM. CO., LTD. (KR) 2011-12-15 US claimed
EP-2394993-A2 NOVEL 2,6-SUBSTITUTED-3-NITROPYRIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME Dong Wha Pharm. Co., Ltd. (KR) 2011-12-14 EP claimed
US-20110306606-A1 NOVEL 2,6-SUBSTITUTED-3-NITROPYRIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME DONG WHA PHARM. CO., LTD. (KR) 2011-12-15 US disclosed
EP-2394993-A2 NOVEL 2,6-SUBSTITUTED-3-NITROPYRIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME Dong Wha Pharm. Co., Ltd. (KR) 2011-12-14 EP 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-20110306606-A1 NOVEL 2,6-SUBSTITUTED-3-NITROPYRIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME NOS3, PTMS, NOS2 EGFR 4627/4885MAPT 4055/4885ALDH1A1 2401/4885

“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.