SCHEMBL2991812

SCHEMBL2991812

COc1cc2c(nc1OC)c(-c1cc3c(CNCC4CCN(C(=O)OC(C)(C)C)CC4)ccnc3n1S(=O)(=O)c1ccc(C)cc1)cn2C

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 5/20 0.38
HTR6 P50406 1/20 0.38
GPR119 Q8TDV5 3/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
SUV39H2 Q9H5I1 3/20 0.35
CCNT1 O60563 1/20 0.34
CDK9 P50750 1/20 0.34
MMP13 P45452 1/20 0.34
USP30 Q70CQ3 1/20 0.34
TRPV1 Q8NER1 2/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MERTK Q12866 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
SCHEMBL2987048 0.93 BRD4 (0.35) TGFBR1HTR6GPR119SUV39H2CCNT1
SCHEMBL2989657 0.92 PTGDR2 (0.32) MEN1KMT2A
SCHEMBL2993803 0.89 NAMPT (0.34) SUV39H2CCNT1CDK9USP30MEN1
SCHEMBL5532018 0.86 DYRK1A (0.34) SUV39H2CCNT1CDK9
SCHEMBL5540138 0.85 NAMPT (0.36) JAK2JAK1TYK2SUV39H2
SCHEMBL2993241 0.85 CD274 (0.32) MEN1KMT2A
SCHEMBL2994855 0.84 PTGDR2 (0.36)
SCHEMBL2990418 0.83 MCHR1 (0.34) SUV39H2
SCHEMBL2996394 0.83 PTGDR2 (0.34) MEN1KMT2A
SCHEMBL2984632 0.83 PTGDR2 (0.34)

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 TGFBR1 2701/4885HTR6 1962/4885GPR119 722/4885
US-20100256141-A1 NOVEL BIS-AZAINDOLE DERIVATIVES, PREPARATION AND PHARMACEUTICAL USE THEREOF AS KINASE INHIBITORS BRSK2, KSR2, CDK2 TGFBR1 2701/4885HTR6 1962/4885GPR119 722/4885

“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.