SCHEMBL2179323

SCHEMBL2179323

c1ccc(Nc2nnc(-c3c[nH]c4ncccc34)o2)cc1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 14/20 0.69
CCNE1 P24864 14/20 0.69
CDK2 P24941 14/20 0.69
DBF4 Q9UBU7 14/20 0.69
BCL2 P10415 4/20 0.58
KDM4E B2RXH2 1/20 0.56
RAB9A P51151 1/20 0.56
CDK1 P06493 2/20 0.55
CCNB1 P14635 2/20 0.55
CCNB2 O95067 1/20 0.55
CCNB3 Q8WWL7 1/20 0.55
CCNT1 O60563 1/20 0.54
CDK9 P50750 1/20 0.54

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
SCHEMBL12409357 0.83 CDC7 (0.67) CDC7CCNE1CDK2DBF4BCL2
SCHEMBL7955526 0.83 BCL2 (0.59) CDC7CCNE1CDK2DBF4BCL2
SCHEMBL1558081 0.77 CDK2 (0.60) CDC7CCNE1CDK2DBF4CDK1
SCHEMBL28326793 0.75 CDC7 (0.57) CDC7CCNE1CDK2DBF4CDK1
SCHEMBL7956178 0.75 CDC7 (1.00) CDC7CCNE1CDK2DBF4CDK1
SCHEMBL12321663 0.74 CDK2 (0.58) CDC7CCNE1CDK2DBF4CDK1
SCHEMBL12322306 0.73 CDK2 (0.52) CDC7CCNE1CDK2DBF4CDK1
SCHEMBL5618155 0.72 TGFBR1 (0.71) CDC7CDK2CCNT1CDK9
SCHEMBL7946423 0.72 CDC7 (1.00) CDC7CCNE1CDK2DBF4CDK1
SCHEMBL413177 0.71 CCNB2 (0.57) CDC7DBF4KDM4ECDK1CCNB1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8466170-B2 7-azaindole derivatives MERCK PATENT GMBH (DE) 2013-06-18 US claimed
EP-2303879-B1 7-AZAINDOLE DERIVATIVES MERCK PATENT GMBH (DE) 2012-09-05 EP claimed
US-20110166175-A1 7-AZAINDOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-07-07 US claimed
US-8466170-B2 7-azaindole derivatives MERCK PATENT GMBH (DE) 2013-06-18 US disclosed
US-8466170-B2 7-azaindole derivatives MERCK PATENT GMBH (DE) 2013-06-18 US disclosed
US-8466170-B2 7-azaindole derivatives MERCK PATENT GMBH (DE) 2013-06-18 US disclosed
EP-2303879-B1 7-AZAINDOLE DERIVATIVES MERCK PATENT GMBH (DE) 2012-09-05 EP disclosed
EP-2303879-B1 7-AZAINDOLE DERIVATIVES MERCK PATENT GMBH (DE) 2012-09-05 EP disclosed
US-20110166175-A1 7-AZAINDOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-07-07 US disclosed
US-20110166175-A1 7-AZAINDOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-07-07 US disclosed
US-20110166175-A1 7-AZAINDOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-07-07 US disclosed
WO-2010020308-A1 7-AZAINDOLE DERIVATIVES MERCK PATENT GMBH (DE) 2010-02-25 WO 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-20110166175-A1 7-AZAINDOLE DERIVATIVES JAK3, AZI2, MYLK2 CDC7 250/4885CCNE1 187/4885CDK2 111/4885

“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.