SCHEMBL4185385

SCHEMBL4185385

N#Cc1cncc(-c2cccc([N+](=O)[O-])c2)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.47
LMNA P02545 2/20 0.44
TSHR P16473 1/20 0.44
ATM Q13315 1/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
IDO1 P14902 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
MYC P01106 1/20 0.40
WDR5 P61964 1/20 0.40
CYP1A2 P05177 1/20 0.40
CHRNB2 P17787 1/20 0.39
CHRNA5 P30532 1/20 0.39
CHRNA4 P43681 1/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
MGAM O43451 1/20 0.39

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
SCHEMBL4199733 0.85 TDP1 (0.44) VCAM1LMNATSHRNPC1RAB9A
SCHEMBL4190265 0.77 EGFR (0.52)
SCHEMBL2985101 0.77 PRKCQ (0.46) LMNATSHRNPC1RAB9AALDH1A1
SCHEMBL4187541 0.75 VCAM1 (0.43) VCAM1LMNAALDH1A1MAPTTDP1
SCHEMBL12679739 0.73 TSHR (0.52) LMNATSHRNPC1RAB9AALDH1A1
SCHEMBL16597940 0.73 VCAM1 (0.48) VCAM1LMNATSHRNPC1RAB9A
SCHEMBL2650056 0.72 LMNA (0.47) VCAM1LMNATSHRNPC1RAB9A
SCHEMBL4191889 0.71 EGFR (0.57)
Dinitrophenylene SCHEMBL27564017 0.70 VCAM1 (0.68) VCAM1LMNATSHRALDH1A1MAPT
SCHEMBL2983215 0.70 PRKCQ (0.46) ALDH1A1TDP1

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
EP-2027093-A2 SUBSTITUTED CYANOPYRIDINES AS PROTEIN KINASE INHIBITORS Wyeth (US) 2009-02-25 EP disclosed
WO-2007146323-A2 SUBSTITUTED CYANOPYRIDINES AS PROTEIN KINASE INHIBITORS WYETH (US) 2007-12-21 WO disclosed
US-20070287738-A1 Substituted Cyanopyridines as protein kinase inhibitors WYETH 2007-12-13 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-20070287738-A1 Substituted Cyanopyridines as protein kinase inhibitors CNKSR1, MAP3K1, MAP3K6 VCAM1 1291/4885LMNA 2130/4885TSHR 1500/4885

“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.