SCHEMBL9983902

SCHEMBL9983902

CN(c1cccnc1)c1ccc([N+](=O)[O-])c(Nc2ccc(N3CCC(N)CC3)c(F)c2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.37
CTSB P07858 1/20 0.36
SIK1 P57059 2/20 0.35
SIK2 Q9H0K1 2/20 0.35
SIK3 Q9Y2K2 2/20 0.35
NPY2R P49146 2/20 0.35
MTTP P55157 2/20 0.35
MAPT P10636 4/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPK1 P28482 2/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
FLT3 P36888 3/20 0.34
JAK2 O60674 2/20 0.34
BRD4 O60885 2/20 0.34
RET P07949 1/20 0.34

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
SCHEMBL9984717 0.92 PLK1 (0.38) SYKCTSBSIK1SIK2SIK3
SCHEMBL9984937 0.91 MAPT (0.42) MAPTALDH1A1MAPK1LMNASMN1; SMN2
SCHEMBL9984367 0.91 SYK (0.36) SYKCTSBMAPTALDH1A1MAPK1
SCHEMBL9987422 0.90 TDP1 (0.40) SYKCTSBSIK1SIK2SIK3
SCHEMBL9984454 0.89 ACVR1 (0.42) MAPTALDH1A1MAPK1LMNASMN1; SMN2
SCHEMBL9987005 0.89 BCL2L2 (0.36) SYKSIK1SIK2SIK3MAPT
SCHEMBL9985628 0.86 ALDH1A1 (0.42) SYKCTSBSIK1SIK2SIK3
SCHEMBL9985355 0.85 MAPT (0.41) SYKCTSBSIK1SIK2SIK3
SCHEMBL9984251 0.83 MAPT (0.39) SYKMAPTALDH1A1MAPK1MEN1
SCHEMBL9984163 0.81 MAPT (0.44) SYKMAPTALDH1A1MAPK1SMN1; SMN2

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
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
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 SYK 1244/4885CTSB 715/4885SIK1 3668/4885

“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.