SCHEMBL3304129

SCHEMBL3304129

CNc1nccc(-n2ccc3cc([N+](=O)[O-])ccc32)n1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 4/20 0.56
CDK2 P24941 2/20 0.52
SLC6A2 P23975 1/20 0.46
KDR P35968 1/20 0.46
LCK P06239 1/20 0.44
ROCK1 Q13464 7/20 0.43
CYP19A1 P11511 1/20 0.41
MKNK1 Q9BUB5 2/20 0.40
MKNK2 Q9HBH9 2/20 0.40
MAPK8 P45983 1/20 0.38
MAPK9 P45984 1/20 0.38
MAPK10 P53779 1/20 0.38
PLK1 P53350 1/20 0.37

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
SCHEMBL13391023 0.83 CDC7 (0.54) CDC7SLC6A2KDRLCKROCK1
SCHEMBL20357894 0.82 CDC7 (0.57) CDC7CDK2SLC6A2KDRROCK1
SCHEMBL20357971 0.81 CDC7 (0.81) CDC7CDK2ROCK1
SCHEMBL3297325 0.81 CDC7 (0.59) CDC7CDK2SLC6A2KDRROCK1
SCHEMBL20357974 0.80 CDC7 (0.55) CDC7CDK2SLC6A2KDRLCK
SCHEMBL3301546 0.79 CDC7 (0.57) CDC7CDK2KDRLCKROCK1
SCHEMBL27985116 0.77 CDK2 (0.53) CDC7CDK2LCKROCK1MKNK1
SCHEMBL31735436 0.76 CDC7 (0.52) CDC7SLC6A2CYP19A1
SCHEMBL28670547 0.76 CDC7 (0.52) CDC7SLC6A2CYP19A1
SCHEMBL3299284 0.76 CDC7 (0.56) CDC7CDK2SLC6A2ROCK1CYP19A1

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-2121600-B1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INT (DE) 2012-07-18 EP disclosed
US-20100093703-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 US disclosed
US-20100093703-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 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-20100093703-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS PYGL, PYGM, G6PC1 CDC7 4322/4885CDK2 876/4885SLC6A2 2503/4885

“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.