SCHEMBL7956178

SCHEMBL7956178

c1cncc(CNc2nnc(-c3c[nH]c4ncccc34)o2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 17/20 1.00
CDK2 P24941 17/20 1.00
CCNE1 P24864 16/20 1.00
DBF4 Q9UBU7 16/20 1.00
CCNT1 O60563 3/20 0.51
CDK9 P50750 3/20 0.51
CDK1 P06493 2/20 0.48
CCNB1 P14635 2/20 0.48
TUBB4A P04350 2/20 0.48
TUBB P07437 2/20 0.48
TUBA3C P0DPH7 2/20 0.48
TUBA1B P68363 2/20 0.48
TUBA4A P68366 2/20 0.48
TUBB4B P68371 2/20 0.48
TUBB3 Q13509 2/20 0.48
TUBB2A Q13885 2/20 0.48
TUBB8 Q3ZCM7 2/20 0.48
TUBA3E Q6PEY2 2/20 0.48
TUBA1A Q71U36 2/20 0.48
TUBA1C Q9BQE3 2/20 0.48

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
SCHEMBL7946423 0.85 CDC7 (1.00) CDC7CDK2CCNE1DBF4CCNT1
SCHEMBL1557178 0.82 CDC7 (0.74) CDC7CDK2CCNE1DBF4CDK9
SCHEMBL14377091 0.81 CDC7 (0.66) CDC7CDK2CCNE1DBF4
SCHEMBL12409357 0.78 CDC7 (0.67) CDC7CDK2CCNE1DBF4CCNT1
SCHEMBL2179323 0.75 CDC7 (0.69) CDC7CDK2CCNE1DBF4CCNT1
SCHEMBL15172140 0.74 CDK2 (0.70) CDC7CDK2CCNE1DBF4CCNT1
SCHEMBL8940045 0.73 CLK4 (0.83) CDC7CDK2CCNE1DBF4CDK9
SCHEMBL1558081 0.72 CDK2 (0.60) CDC7CDK2CCNE1DBF4CCNT1
SCHEMBL12321663 0.72 CDK2 (0.58) CDC7CDK2CCNE1DBF4CCNT1
SCHEMBL1044498 0.71 CDC7 (0.64) CDC7CDK2CCNE1DBF4CCNT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2723736-B1 7-Azaindole derivatives suitable for the treatment of cancers MERCK PATENT GMBH (DE) 2015-08-05 EP disclosed
EP-2723736-B1 7-Azaindole derivatives suitable for the treatment of cancers MERCK PATENT GMBH (DE) 2015-08-05 EP disclosed
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 250/4885CDK2 111/4885CCNE1 187/4885
US-20140187551-A1 7-AZAINDOLE DERIVATIVES SUITABLE FOR TREATMENT OF CANCERS PDK1, PDK2, PDK3 CDC7 61/4885CDK2 6/4885CCNE1 35/4885

“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.