SCHEMBL4187541

SCHEMBL4187541

N#Cc1cncc(-c2ccccc2[N+](=O)[O-])c1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 4/20 0.43
PIN1 Q13526 1/20 0.43
ALDH1A1 P00352 6/20 0.41
TDP1 Q9NUW8 1/20 0.41
HPGD P15428 1/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
POLB P06746 1/20 0.38
MEN1 O00255 1/20 0.37
RECQL P46063 1/20 0.37
KMT2A Q03164 1/20 0.37
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
HSD11B1 P28845 1/20 0.36

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
SCHEMBL10337977 0.77 ALDH1A1 (0.53) VCAM1PIN1ALDH1A1TDP1HPGD
SCHEMBL2980388 0.75 NPC1 (0.36) ALDH1A1TDP1HPGDL3MBTL1LMNA
SCHEMBL4185385 0.75 VCAM1 (0.47) VCAM1ALDH1A1TDP1MAPTLMNA
SCHEMBL1287837 0.71 ALDH1A1 (0.74) ALDH1A1TDP1HPGDL3MBTL1MAPK1
SCHEMBL30535903 0.71 ALDH1A1 (0.74) ALDH1A1TDP1HPGDL3MBTL1MAPK1
SCHEMBL5968 0.71 VCAM1 (0.54) VCAM1PIN1ALDH1A1TDP1HPGD
SCHEMBL12679740 0.71 ALDH1A1 (0.58) ALDH1A1TDP1HPGDKDM4EMAPT
SCHEMBL27533903 0.70 ALDH1A1 (0.55) VCAM1PIN1ALDH1A1TDP1KDM4E
SCHEMBL27737266 0.70 VCAM1 (0.54) VCAM1PIN1ALDH1A1TDP1HPGD
SCHEMBL29382907 0.69 VCAM1 (0.56) VCAM1PIN1ALDH1A1TDP1HPGD

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 1291/4885PIN1 3951/4885ALDH1A1 3084/4885

“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.