SCHEMBL2993772

SCHEMBL2993772

COc1cc2c(nc1OC)c(-c1cc3c(Cl)c(F)cnc3n1S(=O)(=O)c1ccc(C)cc1)cn2CCN1CCN(C)CC1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 13/20 0.36
PIM1 P11309 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
CYP3A4 P08684 3/20 0.33
CYP2D6 P10635 2/20 0.33
DRD2 P14416 1/20 0.32
SLC6A2 P23975 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR7 P34969 1/20 0.32
HRH1 P35367 1/20 0.32
ADRA1B P35368 1/20 0.32
SLC6A3 Q01959 1/20 0.32
TP53 P04637 1/20 0.32
AXL P30530 1/20 0.31

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
SCHEMBL2991779 0.96 HTR6 (0.35) HTR6PIM1PIM2CYP3A4CYP2D6
SCHEMBL2989479 0.94 KIT (0.36) PIM1PIM2
SCHEMBL2985845 0.93 HTR6 (0.34) HTR6PIM1PIM2CYP3A4CYP2D6
SCHEMBL2988527 0.91 KIT (0.37)
SCHEMBL2982757 0.90 KIT (0.36) PIM1PIM2TP53
SCHEMBL2991242 0.90 PIM1 (0.35) PIM1PIM2TP53
SCHEMBL2993710 0.89 PIM1 (0.35) PIM1PIM2TP53
SCHEMBL2988487 0.89 PIM1 (0.35) PIM1PIM2TP53
SCHEMBL2997504 0.89 HTR6 (0.37) HTR6TP53AXL
SCHEMBL2989166 0.89 PIM1 (0.35) PIM1PIM2TP53

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 4 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 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

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 HTR6 1962/4885PIM1 695/4885PIM2 607/4885
US-20100256141-A1 NOVEL BIS-AZAINDOLE DERIVATIVES, PREPARATION AND PHARMACEUTICAL USE THEREOF AS KINASE INHIBITORS BRSK2, KSR2, CDK2 HTR6 1962/4885PIM1 695/4885PIM2 607/4885

“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.