SCHEMBL3301546

SCHEMBL3301546

CNc1nccc(-n2ccc3cc(N)ccc32)n1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 9/20 0.57
CDK2 P24941 8/20 0.57
ROCK1 Q13464 9/20 0.54
LCK P06239 2/20 0.45
KDR P35968 1/20 0.44
MAPT P10636 1/20 0.43
PRKCI P41743 1/20 0.43
MAP3K14 Q99558 2/20 0.42

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
SCHEMBL27985116 0.80 CDK2 (0.53) CDC7CDK2ROCK1LCK
SCHEMBL3304129 0.79 CDC7 (0.56) CDC7CDK2ROCK1LCKKDR
SCHEMBL16610260 0.75 CDC7 (0.59) CDC7CDK2ROCK1MAPTMAP3K14
SCHEMBL20784111 0.73 MAPT (0.48) CDC7CDK2ROCK1MAPTPRKCI
SCHEMBL31735499 0.73 MAPT (0.48) CDC7CDK2ROCK1MAPTPRKCI
SCHEMBL3304258 0.72 PSEN1 (0.47) CDC7CDK2ROCK1KDR
SCHEMBL31735741 0.71 MAPT (0.57) CDC7CDK2ROCK1MAPTPRKCI
SCHEMBL12821409 0.70 ROCK1 (1.00) CDC7CDK2ROCK1MAP3K14
SCHEMBL16862178 0.70 CDC7 (0.54) CDC7CDK2ROCK1MAPTPRKCI
SCHEMBL31735756 0.70 PRKCI (0.49) CDC7CDK2ROCK1MAPTPRKCI

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
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
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 876/4885ROCK1 712/4885

“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.