SCHEMBL9984682

SCHEMBL9984682

CN(CC1OCCO1)c1ccc([N+](=O)[O-])c(Nc2ccc(-n3ccnc3)cc2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.43
SYK P43405 1/20 0.37
MAPT P10636 3/20 0.34
HTT P42858 1/20 0.34
PORCN Q9H237 2/20 0.33
CYP3A4 P08684 2/20 0.33
BAZ2B Q9UIF8 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM6B O15054 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
CYP1A2 P05177 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
CYP2D6 P10635 1/20 0.32
JAK3 P52333 1/20 0.32
CD38 P28907 1/20 0.32

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
SCHEMBL9985352 0.85 MAPT (0.47) MAPTMEN1KMT2AMAPK1
SCHEMBL9984290 0.85 TDP1 (0.40) MAPTHTTCYP3A4MEN1KMT2A
SCHEMBL9984212 0.82 IDO1 (0.43) MAPTHTTCYP3A4MEN1KMT2A
SCHEMBL9984512 0.82 MAPT (0.35) MAPTHTTCYP3A4MEN1KMT2A
SCHEMBL9986269 0.80 EGFR (0.43) EGFRSYKMAPTPORCNHTR2A
SCHEMBL9984410 0.80 MAPT (0.37) EGFRMAPTMEN1KMT2ACYP1A2
SCHEMBL9985563 0.79 EGFR (0.45) EGFRSYKMAPTHTTCYP3A4
SCHEMBL9985384 0.76 EGFR (0.48) EGFRSYKMAPTCYP3A4MEN1
SCHEMBL9985969 0.76 HSF1 (0.58) EGFRSYKMAPT
SCHEMBL9984707 0.74 HSF1 (0.52) EGFRMAPTHTTCYP3A4BAZ2B

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 4627/4885SYK 1244/4885MAPT 4055/4885

“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.