SCHEMBL9984266

SCHEMBL9984266

O=[N+]([O-])c1ccc(N2CCC(O)CC2)nc1Nc1ccc(N2CCNCC2)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 3/20 0.43
CCND1 P24385 3/20 0.43
CDK1 P06493 2/20 0.43
CCNB1 P14635 2/20 0.43
CCNE1 P24864 2/20 0.43
CDK2 P24941 2/20 0.43
MAPT P10636 8/20 0.42
ALDH1A1 P00352 5/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
CYP3A4 P08684 1/20 0.39
SLC6A4 P31645 1/20 0.39
THPO P40225 1/20 0.39

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
SCHEMBL9984594 1.00 CDK4 (0.43) CDK4CCND1CDK1CCNB1CCNE1
SCHEMBL9984012 0.94 MAPT (0.47) CDK4MAPTALDH1A1MEN1KMT2A
SCHEMBL9985177 0.91 MAPT (0.42) CDK4CCND1CDK1CCNB1CCNE1
SCHEMBL9983445 0.91 ALDH1A1 (0.45) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL9984347 0.90 MAPT (0.43) CDK4MAPTALDH1A1MEN1KMT2A
SCHEMBL9984527 0.90 MAPT (0.43) CDK4MAPTALDH1A1MEN1KMT2A
SCHEMBL9984182 0.90 MAPT (0.48) CDK4CCND1CDK1CCNB1CCNE1
SCHEMBL9984987 0.89 MAPT (0.42) CDK4MAPTALDH1A1MEN1KMT2A
SCHEMBL9985202 0.89 MAPT (0.46) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL9984020 0.89 FLT3 (0.46) MAPTALDH1A1MEN1KMT2ALMNA

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 CDK4 2277/4885CCND1 1179/4885CDK1 3769/4885

“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.