SCHEMBL9984604

SCHEMBL9984604

NC1CCN(c2ccc([N+](=O)[O-])c(Nc3ccc(N4CCSCC4)c(F)c3)n2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.36
RET P07949 2/20 0.36
ROS1 P08922 2/20 0.36
FLT3 P36888 2/20 0.36
EML4 Q9HC35 1/20 0.36
ALK Q9UM73 1/20 0.36
ALDH1A1 P00352 5/20 0.35
MAPT P10636 11/20 0.35
MAPK1 P28482 4/20 0.35
THRB P10828 1/20 0.35
JAK3 P52333 1/20 0.34
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
AXL P30530 1/20 0.34
CSF1R P07333 1/20 0.34
CDK6 Q00534 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 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
SCHEMBL9987452 0.94 ALDH1A1 (0.39) SYKRETROS1FLT3EML4
SCHEMBL9984987 0.91 MAPT (0.42) SYKRETROS1FLT3EML4
SCHEMBL9984893 0.91 ALDH1A1 (0.45) SYKALDH1A1MAPTMAPK1POLB
SCHEMBL9984527 0.90 MAPT (0.43) SYKRETROS1FLT3EML4
SCHEMBL9984347 0.90 MAPT (0.43) SYKRETROS1FLT3EML4
SCHEMBL9983771 0.89 FLT3 (0.46) RETROS1FLT3EML4ALK
SCHEMBL9984333 0.89 SYK (0.46) SYKRETROS1FLT3EML4
SCHEMBL9985177 0.89 MAPT (0.42) ALDH1A1MAPTMAPK1LMNAGAA
SCHEMBL9984480 0.88 MAPT (0.49) SYKRETROS1FLT3EML4
SCHEMBL9983894 0.87 ALDH1A1 (0.43) RETROS1FLT3EML4ALK

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 SYK 1244/4885RET 4211/4885ROS1 3832/4885

“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.