Sugi Predict

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SCHEMBL9984373

SCHEMBL9984373

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CARM1 Q86X55 1/20 0.39
▸ PRMT1 Q99873 1/20 0.39
▸ MERTK Q12866 1/20 0.39
▸ ABCG2 Q9UNQ0 2/20 0.37
▸ BRD4 O60885 2/20 0.36
▸ MAPT P10636 4/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ MCL1 Q07820 1/20 0.35
▸ PTK2B Q14289 1/20 0.35
▸ CYP11B1 P15538 1/20 0.34
▸ CYP11B2 P19099 1/20 0.34
▸ SYK P43405 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ NPC1 O15118 2/20 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 0.89 IDO1 (0.38) BRD4MAPTMEN1CYP1A2CYP3A4
SCHEMBL9983318 0.86 GAA (0.43) ABCG2MAPTMEN1KMT2AKDR
SCHEMBL9985110 0.86 TRPV1 (0.39) BRD4MAPTMEN1CYP1A2CYP3A4
SCHEMBL9984341 0.83 EGFR (0.45) BRD4MAPTMEN1CYP1A2CYP3A4
SCHEMBL9984116 0.82 MAPT (0.46) MAPTMEN1CYP2C9KMT2ASYK
SCHEMBL9984121 0.81 ROCK1 (0.38) ABCG2BRD4MAPTMEN1KMT2A
SCHEMBL9984129 0.81 RAB9A (0.37) BRD4MAPTMEN1KMT2ANPC1
SCHEMBL9985481 0.79 HSF1 (0.59) BRD4MAPTSYKKDRPOLB
SCHEMBL9984933 0.78 BRD4 (0.40) BRD4MAPTMEN1KMT2ANPC1
SCHEMBL9985030 0.77 MAPT (0.38) ABCG2BRD4MAPTMEN1KMT2A

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 CARM1 2242/4885PRMT1 132/4885MERTK 2948/4885

“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.