SCHEMBL7957150

SCHEMBL7957150

COc1cccc(CNc2nnc(-c3c[nH]c4ncc(-c5cn[nH]c5)cc34)o2)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CDC7 O00311 5/20 0.54
▸ CCNE1 P24864 5/20 0.54
▸ CDK2 P24941 5/20 0.54
▸ DBF4 Q9UBU7 5/20 0.54
▸ NTRK1 P04629 1/20 0.47
▸ ROCK2 O75116 4/20 0.47
▸ CLK1 P49759 1/20 0.47
▸ DYRK1A Q13627 1/20 0.47
▸ KIT P10721 2/20 0.46
▸ ROCK1 Q13464 1/20 0.46
▸ PIM1 P11309 1/20 0.45
▸ PIM3 Q86V86 1/20 0.45
▸ PIM2 Q9P1W9 1/20 0.45
▸ NEK1 Q96PY6 1/20 0.44
▸ PRKACA P17612 2/20 0.44
▸ PRKACG P22612 2/20 0.44
▸ PRKACB P22694 2/20 0.44

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
SCHEMBL16976914 0.87 CDC7 (0.53) CDC7CCNE1CDK2DBF4NTRK1
SCHEMBL7955873 0.86 CDK2 (0.55) CDC7CCNE1CDK2DBF4NTRK1
SCHEMBL1557178 0.83 CDC7 (0.74) CDC7CCNE1CDK2DBF4ROCK2
SCHEMBL14377770 0.77 PIM1 (0.50) CDC7CCNE1CDK2DBF4PIM1
SCHEMBL14335342 0.75 CDC7 (0.65) CDC7CCNE1CDK2DBF4
SCHEMBL14378024 0.74 ALK (0.61) CDC7CCNE1CDK2DBF4
SCHEMBL2189331 0.73 CDC7 (0.47) CDC7CCNE1CDK2DBF4ROCK2
SCHEMBL2190120 0.73 CDC7 (0.47) CDC7CCNE1CDK2DBF4ROCK2
SCHEMBL14377091 0.72 CDC7 (0.66) CDC7CCNE1CDK2DBF4
SCHEMBL14377766 0.72 RIPK1 (0.47) NTRK1KITNEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8993564-B2 7-azaindole derivatives suitable for treatment of cancers MERCK PATENT GMBH (DE) 2015-03-31 — — US disclosed
US-8993564-B2 7-azaindole derivatives suitable for treatment of cancers MERCK PATENT GMBH (DE) 2015-03-31 — — US disclosed
US-20140187551-A1 7-AZAINDOLE DERIVATIVES SUITABLE FOR TREATMENT OF CANCERS MERCK PATENT GMBH (DE) 2014-07-03 — — US disclosed
US-20140187551-A1 7-AZAINDOLE DERIVATIVES SUITABLE FOR TREATMENT OF CANCERS MERCK PATENT GMBH (DE) 2014-07-03 — — US disclosed
US-8466170-B2 7-azaindole derivatives MERCK PATENT GMBH (DE) 2013-06-18 — — US disclosed
WO-2012175168-A1 7-AZAINDOLE DERIVATIVES SUITABLE FOR TREATMENT OF CANCERS MERCK PATENT GMBH (DE) 2012-12-27 — — WO 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
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 (2 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
US-20140187551-A1 7-AZAINDOLE DERIVATIVES SUITABLE FOR TREATMENT OF CANCERS PDK1, PDK2, PDK3 CDC7 61/4885CCNE1 35/4885CDK2 6/4885

“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.

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