SCHEMBL9984476

SCHEMBL9984476

CC(C)c1nccn1-c1ccc([N+](=O)[O-])c(Nc2ccc(N3CCNCC3)c(F)c2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 9/20 0.42
CCNE1 P24864 4/20 0.42
CDK2 P24941 4/20 0.42
CDK1 P06493 3/20 0.42
CCNB1 P14635 3/20 0.42
CCND1 P24385 3/20 0.42
MAPT P10636 5/20 0.40
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CSF1R P07333 6/20 0.38
CDK6 Q00534 6/20 0.38
PIK3CD O00329 1/20 0.38
CCNA2 P20248 1/20 0.38
JAK2 O60674 2/20 0.38
BRD4 O60885 2/20 0.38
JAK1 P23458 1/20 0.38
BRD2 P25440 1/20 0.38
JAK3 P52333 1/20 0.38

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
SCHEMBL9984599 0.92 MAPT (0.39) MAPTLMNAALDH1A1SMN1; SMN2BRD4
SCHEMBL9983968 0.90 CSF1R (0.38) CDK4CCNE1CDK2CDK1CCNB1
SCHEMBL9985309 0.81 MAPT (0.54) CDK4CCNE1CDK2CDK1CCNB1
SCHEMBL14852358 0.80 MAPT (0.47) CDK4CCNE1CDK2CDK1CCNB1
SCHEMBL9984381 0.80 BRD4 (0.57) CDK4CCNE1CDK2CDK1CCNB1
SCHEMBL9984086 0.80 MAPT (0.43) CDK4CCNE1CDK2CDK1CCNB1
SCHEMBL9985030 0.79 MAPT (0.38) MAPTALDH1A1SMN1; SMN2BRD4
Hydrochloric Acid SCHEMBL9987389 0.79 BRD4 (0.56) CDK4CCNE1CDK2CDK1CCNB1
SCHEMBL9984181 0.78 HSF1 (0.53) CDK4CCNE1CDK2CDK1CCNB1
SCHEMBL9984594 0.78 CDK4 (0.43) CDK4CCNE1CDK2CDK1CCNB1

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 2277/4885CCNE1 4183/4885CDK2 2005/4885

“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.