SCHEMBL9984349

SCHEMBL9984349

CC(C)c1nc(-c2ccc(Nc3nc(N4CCC(N)CC4)ccc3[N+](=O)[O-])cc2)cs1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.34
NPC1 O15118 4/20 0.34
RAB9A P51151 4/20 0.34
POLB P06746 3/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KARS1 Q15046 1/20 0.34
ALDH1A1 P00352 3/20 0.33
MAPT P10636 3/20 0.33
MAPK1 P28482 2/20 0.33
BTK Q06187 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PLK1 P53350 1/20 0.33
LMNA P02545 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
AURKA O14965 1/20 0.32
KDR P35968 1/20 0.32
FLT3 P36888 1/20 0.32
BRD4 O60885 2/20 0.32

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
SCHEMBL9984752 0.91 PLK1 (0.41) IRAK4NPC1RAB9APOLBMEN1
SCHEMBL9984276 0.89 RAB9A (0.44) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL9983969 0.89 HRH4 (0.39) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL9984450 0.87 PLK1 (0.32) IDH1NPC1RAB9APOLBMEN1
SCHEMBL9984253 0.84 ALDH1A1 (0.39) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL9984453 0.82 PLK1 (0.32) NPC1RAB9AALDH1A1MAPTBTK
SCHEMBL9983981 0.80 LMNA (0.44) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL9983923 0.80 MAPT (0.43) POLBMEN1KMT2AALDH1A1MAPT
SCHEMBL9984195 0.80 RAB9A (0.46) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL9984226 0.79 MAPT (0.44) NPC1RAB9AMEN1KMT2AALDH1A1

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 IDH1 2663/4885IRAK4 767/4885NPC1 1775/4885

“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.