SCHEMBL9986269

SCHEMBL9986269

O=[N+]([O-])c1ccc(NCCC2OCCO2)nc1Nc1ccc(-n2ccnc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.43
CDK1 P06493 1/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
SYK P43405 1/20 0.35
CD38 P28907 1/20 0.34
JAK3 P52333 1/20 0.34
PORCN Q9H237 3/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
HSF1 Q00613 1/20 0.33
BRD4 O60885 2/20 0.33
TNIK Q9UKE5 2/20 0.32
MAPT P10636 1/20 0.32
GRIA1 P42261 1/20 0.32
GRIA2 P42262 1/20 0.32
GRIA3 P42263 1/20 0.32
GRIA4 P48058 1/20 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
SCHEMBL9985111 0.81 EGFR (0.43) EGFRCDK1GSK3AGSK3BMAPT
SCHEMBL9984682 0.80 EGFR (0.43) EGFRSYKCD38JAK3PORCN
SCHEMBL9985560 0.79 EGFR (0.45) EGFRCDK1GSK3AGSK3BHSF1
SCHEMBL9984416 0.79 EGFR (0.45) EGFRCDK1GSK3AGSK3BPORCN
SCHEMBL9984707 0.79 HSF1 (0.52) EGFRHSF1BRD4TNIKMAPT
SCHEMBL9985382 0.76 EGFR (0.48) EGFRMAPT
SCHEMBL9984168 0.76 BRD4 (0.56) EGFRPORCNHSF1BRD4MAPT
SCHEMBL9983768 0.74 EGFR (0.50) EGFRMAPTGRIA1GRIA2GRIA3
SCHEMBL9984877 0.74 MAPT (0.44) GSK3AGSK3BMAPT
SCHEMBL9985113 0.73 EGFR (0.43) EGFRPORCNHSF1BRD4MAPT

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 1 patent. 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 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 EGFR 4627/4885CDK1 3769/4885GSK3A 2983/4885

“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.