SCHEMBL2993667

SCHEMBL2993667

COc1cc2[nH]cc(-c3cc4c(C#N)ccnc4[nH]3)c2nc1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 8/20 0.41
CDK9 P50750 4/20 0.39
CDC7 O00311 1/20 0.39
PIM1 P11309 1/20 0.39
CCNT1 O60563 3/20 0.38
LRRK2 Q5S007 1/20 0.36
CHUK O15111 1/20 0.35
INSR P06213 1/20 0.35
MAPK8 P45983 1/20 0.35
CAMKK2 Q96RR4 1/20 0.35
DYRK1A Q13627 2/20 0.35
MAPK14 Q16539 1/20 0.35
CCNB2 O95067 1/20 0.34
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
CDK5 Q00535 1/20 0.34
CDK5R1 Q15078 1/20 0.34
CCNB3 Q8WWL7 1/20 0.34

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
SCHEMBL2990264 0.85 EGFR (0.38) CDK9CDC7PIM1CCNT1CHUK
SCHEMBL2992440 0.80 IGF1R (0.49) TBK1CDK9CDC7PIM1CCNT1
SCHEMBL2990593 0.80 TBK1 (0.37) TBK1CDK9CCNT1CHUKINSR
SCHEMBL9987593 0.79 TBK1 (0.40) TBK1CDK9CDC7PIM1CCNT1
SCHEMBL1776942 0.78 MAP3K14 (0.49) CDK9CDC7PIM1LRRK2DYRK1A
SCHEMBL2984674 0.76 EGFR (0.39) CDK9CCNT1
SCHEMBL1748948 0.71 IGF1R (0.64) TBK1CDK9CDC7PIM1CCNT1
SCHEMBL2991594 0.71 PTGDR2 (0.39) CDK9PIM1
Pyridine SCHEMBL5822323 0.67 IGF1R (0.60) TBK1CDK9CDC7PIM1CCNT1
SCHEMBL2982565 0.67 IGF1R (0.53) TBK1CDK9PIM1CCNT1LRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1799691-B1 NOVEL BIS-AZAINDOLE DERIVATIVES, PREPARATION AND PHARMACEUTICAL USE THEREOF AS KINASE INHIBITORS AVENTIS PHARMA SA (FR) 2011-12-21 EP claimed
EP-1799691-B1 NOVEL BIS-AZAINDOLE DERIVATIVES, PREPARATION AND PHARMACEUTICAL USE THEREOF AS KINASE INHIBITORS AVENTIS PHARMA SA (FR) 2011-12-21 EP disclosed
US-20100256141-A1 NOVEL BIS-AZAINDOLE DERIVATIVES, PREPARATION AND PHARMACEUTICAL USE THEREOF AS KINASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2010-10-07 US disclosed
US-7786114-B2 Bis-azaindole derivatives, preparation and pharmaceutical use thereof as kinase inhibitors AVENTIS PHARMA S.A. (FR) 2010-08-31 US disclosed
US-20080045561-A1 Novel Bis-Azaindole Derivatives, Preparation And Pharmaceutical Use Thereof As Kinase Inhibitors AVENTIS PHARMA S.A. (FR) 2008-02-21 US disclosed
CN-101052642-A Novel bis-azaindole derivatives, their preparation and their pharmaceutical use as kinase inhibitors AVENTIS PHARMA SA (FR) 2007-10-10 CN disclosed
EP-1799691-A1 NOVEL BIS-AZAINDOLE DERIVATIVES, PREPARATION AND PHARMACEUTICAL USE THEREOF AS KINASE INHIBITORS Aventis Pharma S.A. (FR) 2007-06-27 EP disclosed
WO-2006037875-A1 NOVEL BIS-AZAINDOLE DERIVATIVES, PREPARATION AND PHARMACEUTICAL USE THEREOF AS KINASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2006-04-13 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-20080045561-A1 Novel Bis-Azaindole Derivatives, Preparation And Pharmaceutical Use Thereof As Kinase Inhibitors BRSK2, KSR2, CDK2 TBK1 632/4885CDK9 90/4885CDC7 354/4885
US-20100256141-A1 NOVEL BIS-AZAINDOLE DERIVATIVES, PREPARATION AND PHARMACEUTICAL USE THEREOF AS KINASE INHIBITORS BRSK2, KSR2, CDK2 TBK1 632/4885CDK9 90/4885CDC7 354/4885

“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.