SCHEMBL9984168

SCHEMBL9984168

CC(C)Nc1ccc([N+](=O)[O-])c(Nc2ccc(-n3ccnc3)cc2)n1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 6/20 0.56
EGFR P00533 1/20 0.47
HSF1 Q00613 1/20 0.40
PORCN Q9H237 2/20 0.39
KCNH3 Q9ULD8 1/20 0.38
MAPT P10636 3/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
CYP3A4 P08684 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
GRIA1 P42261 1/20 0.36
GRIA2 P42262 1/20 0.36
GRIA3 P42263 1/20 0.36
GRIA4 P48058 1/20 0.36
BAZ2B Q9UIF8 1/20 0.36

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
SCHEMBL9984707 0.88 HSF1 (0.52) BRD4EGFRHSF1MAPTLMNA
SCHEMBL9984416 0.87 EGFR (0.45) BRD4EGFRHSF1PORCNMAPT
SCHEMBL9985113 0.86 EGFR (0.43) BRD4EGFRHSF1PORCNMAPT
SCHEMBL9983768 0.81 EGFR (0.50) EGFRMAPTLMNAHTTCYP3A4
SCHEMBL9984816 0.81 BRD4 (0.66) BRD4HSF1KCNH3MAPTLMNA
SCHEMBL9984298 0.81 BRD4 (0.66) BRD4HSF1KCNH3MAPTCYP3A4
SCHEMBL9985560 0.81 EGFR (0.45) BRD4EGFRHSF1MAPTLMNA
SCHEMBL9984022 0.79 BRD4 (0.56) BRD4MAPTLMNACYP3A4CYP1A2
SCHEMBL9985111 0.78 EGFR (0.43) EGFRMAPTLMNAHTT
SCHEMBL9984341 0.78 EGFR (0.45) BRD4EGFRPORCNMAPTLMNA

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 BRD4 1137/4885EGFR 4627/4885HSF1 4685/4885

“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.