SCHEMBL1558081

SCHEMBL1558081

Nc1nnc(-c2c[nH]c3ncccc23)o1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 16/20 0.60
CDC7 O00311 16/20 0.60
CCNE1 P24864 15/20 0.60
DBF4 Q9UBU7 15/20 0.60
CDK9 P50750 4/20 0.52
CCNT1 O60563 3/20 0.52
CDK5 Q00535 2/20 0.52
TGFBR1 P36897 1/20 0.52
PDPK1 O15530 1/20 0.52
CCNA2 P20248 1/20 0.52
CCNA1 P78396 1/20 0.52
CDK5R1 Q15078 1/20 0.52
PIM1 P11309 2/20 0.51
PIM3 Q86V86 1/20 0.51
PIM2 Q9P1W9 1/20 0.51
TBK1 Q9UHD2 1/20 0.50
CDK1 P06493 2/20 0.49
CCNB1 P14635 2/20 0.49
DAPK3 O43293 1/20 0.48
PRKD3 O94806 1/20 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
SCHEMBL12321663 0.82 CDK2 (0.58) CDK2CDC7CCNE1DBF4CDK9
SCHEMBL12409357 0.80 CDC7 (0.67) CDK2CDC7CCNE1DBF4CDK9
SCHEMBL12322306 0.79 CDK2 (0.52) CDK2CDC7CCNE1DBF4CDK9
SCHEMBL28326793 0.78 CDC7 (0.57) CDK2CDC7CCNE1DBF4CDK9
SCHEMBL21801514 0.77 MEN1 (0.58) PIM1PIM3PIM2
SCHEMBL2179323 0.77 CDC7 (0.69) CDK2CDC7CCNE1DBF4CDK9
SCHEMBL5618155 0.77 TGFBR1 (0.71) CDK2CDC7CDK9CCNT1CDK5
SCHEMBL5802606 0.73 AXL (0.60) CDK2CDC7CDK9CCNT1CDK5
SCHEMBL7956178 0.72 CDC7 (1.00) CDK2CDC7CCNE1DBF4CDK9
SCHEMBL1050911 0.72 TGFBR1 (0.60) CDK2CDC7CDK9CCNT1CDK5

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 14 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
EP-2303879-A1 7-AZAINDOLE DERIVATIVES Merck Patent GmbH (DE) 2011-04-06 EP disclosed
WO-2010020308-A1 7-AZAINDOLE DERIVATIVES MERCK PATENT GMBH (DE) 2010-02-25 WO 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 CDK2 111/4885CDC7 250/4885CCNE1 187/4885

“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.