SCHEMBL2990593

SCHEMBL2990593

COc1cc2[nH]cc(-c3cc4c(C5OCCO5)ccnc4[nH]3)c2nc1OC

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 4/20 0.37
CCNT1 O60563 11/20 0.35
CDK9 P50750 11/20 0.35
FLT3 P36888 1/20 0.34
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
CHUK O15111 2/20 0.33
INSR P06213 2/20 0.33
MAPK8 P45983 2/20 0.33
CAMKK2 Q96RR4 2/20 0.33
IGF1R P08069 1/20 0.33
CDK2 P24941 1/20 0.33
DYRK1B Q9Y463 1/20 0.33

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
SCHEMBL2990027 0.82 IGF1R (0.46) TBK1CCNT1CDK9FLT3MKNK1
SCHEMBL2990264 0.81 EGFR (0.38) CCNT1CDK9FLT3MKNK1MKNK2
SCHEMBL2993667 0.80 TBK1 (0.41) TBK1CCNT1CDK9CHUKINSR
SCHEMBL2984674 0.73 EGFR (0.39) CCNT1CDK9
SCHEMBL1752648 0.66 CCNB2 (0.39) CCNT1CDK9
SCHEMBL1779530 0.63 MAP3K14 (0.53) CCNT1CDK9FLT3MKNK1MKNK2
SCHEMBL13093827 0.62 PIM1 (0.40) CDK9FLT3MKNK1MKNK2IGF1R
SCHEMBL2984402 0.62 IGF1R (0.51) TBK1CCNT1CDK9FLT3MKNK1
SCHEMBL2982565 0.62 IGF1R (0.53) TBK1CCNT1CDK9FLT3MKNK1
SCHEMBL2987587 0.61 CDK9 (0.45) TBK1CCNT1CDK9MKNK2CHUK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 632/4885CCNT1 327/4885CDK9 90/4885
US-20100256141-A1 NOVEL BIS-AZAINDOLE DERIVATIVES, PREPARATION AND PHARMACEUTICAL USE THEREOF AS KINASE INHIBITORS BRSK2, KSR2, CDK2 TBK1 632/4885CCNT1 327/4885CDK9 90/4885

“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.