SCHEMBL2991640

SCHEMBL2991640

COc1cc2c(nc1OC)c(-c1cc3c(CNCCc4cncn4C)ccnc3[nH]1)cn2C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 3/20 0.40
LCK P06239 2/20 0.34
GSK3A P49840 2/20 0.34
GSK3B P49841 2/20 0.34
CDK7 P50613 2/20 0.34
LRRK2 Q5S007 2/20 0.34
AURKB Q96GD4 2/20 0.34
JAK2 O60674 1/20 0.34
BTK Q06187 1/20 0.34
CDK9 P50750 9/20 0.32
CCNT1 O60563 8/20 0.32
HTR2A P28223 2/20 0.32
HTR2C P28335 2/20 0.32
MAPK8 P45983 2/20 0.32
AURKA O14965 1/20 0.32
PAK4 O96013 1/20 0.32
ABL1 P00519 1/20 0.32
NTRK1 P04629 1/20 0.32
FYN P06241 1/20 0.32
CSF1R P07333 1/20 0.32

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
SCHEMBL2986378 0.83 IGF1R (0.41) IGF1RLCKGSK3AGSK3BCDK7
SCHEMBL2996917 0.82 IGF1R (0.45) IGF1RLCKGSK3AGSK3BCDK7
SCHEMBL2993570 0.81 IGF1R (0.40) IGF1RLCKGSK3AGSK3BCDK7
SCHEMBL2990952 0.81 IGF1R (0.40) IGF1RLCKGSK3AGSK3BCDK7
SCHEMBL2985996 0.81 IGF1R (0.48) IGF1RLCKGSK3AGSK3BCDK7
SCHEMBL2982560 0.81 IGF1R (0.48) IGF1RLCKGSK3AGSK3BCDK7
SCHEMBL5529651 0.80 CCNT1 (0.43) IGF1RGSK3BCDK9CCNT1RPS6KA3
SCHEMBL2986604 0.80 IGF1R (0.44) IGF1RLCKGSK3AGSK3BCDK7
SCHEMBL2993743 0.80 EED (0.30)
SCHEMBL2993746 0.79 IGF1R (0.36) IGF1RLCKGSK3AGSK3BCDK7

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 5 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
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 IGF1R 606/4885LCK 271/4885GSK3A 459/4885
US-20100256141-A1 NOVEL BIS-AZAINDOLE DERIVATIVES, PREPARATION AND PHARMACEUTICAL USE THEREOF AS KINASE INHIBITORS BRSK2, KSR2, CDK2 IGF1R 606/4885LCK 271/4885GSK3A 459/4885

“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.