SCHEMBL9984341

SCHEMBL9984341

CC(C)c1nccn1-c1ccc([N+](=O)[O-])c(Nc2ccc(-n3ccnc3)cc2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.45
BRD4 O60885 2/20 0.34
USP1 O94782 1/20 0.34
WDR48 Q8TAF3 1/20 0.34
MAPT P10636 4/20 0.34
PORCN Q9H237 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP1A1 P04798 1/20 0.34
CYP1B1 Q16678 1/20 0.34
TNIK Q9UKE5 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MCL1 Q07820 1/20 0.33
PTK2B Q14289 1/20 0.33
GRIA1 P42261 1/20 0.33
GRIA2 P42262 1/20 0.33
GRIA3 P42263 1/20 0.33

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
SCHEMBL9984395 0.86 IDO1 (0.38) BRD4MAPTCYP1A2KMT2AMEN1
SCHEMBL9983318 0.83 GAA (0.43) MAPTKMT2AMEN1HTT
SCHEMBL9985110 0.83 TRPV1 (0.39) BRD4MAPTCYP1A2KMT2AMEN1
SCHEMBL9984373 0.83 CARM1 (0.39) BRD4MAPTCYP1A2KMT2AMEN1
SCHEMBL9984116 0.83 MAPT (0.46) MAPTKMT2AMEN1CYP2C9LMNA
SCHEMBL9984121 0.79 ROCK1 (0.38) EGFRBRD4MAPTKMT2AMEN1
SCHEMBL9984129 0.78 RAB9A (0.37) BRD4MAPTKMT2AMEN1LMNA
SCHEMBL9984168 0.78 BRD4 (0.56) EGFRBRD4MAPTPORCNCYP1A2
SCHEMBL9985481 0.77 HSF1 (0.59) EGFRBRD4MAPTSYK
SCHEMBL9985030 0.77 MAPT (0.38) EGFRBRD4MAPTKMT2AMEN1

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
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 4627/4885BRD4 1137/4885USP1 2912/4885

“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.