SCHEMBL2989657

SCHEMBL2989657

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

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.32
TP53 P04637 1/20 0.32
RAB9A P51151 1/20 0.32
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
PKM P14618 1/20 0.31
HDAC6 Q9UBN7 3/20 0.31
ALDH1A1 P00352 2/20 0.30
F2 P00734 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HDAC3 O15379 2/20 0.30
HDAC1 Q13547 2/20 0.30
HDAC2 Q92769 2/20 0.30
HDAC8 Q9BY41 2/20 0.30
NCOR2 Q9Y618 2/20 0.30
PIK3CD O00329 1/20 0.30
PIK3CA P42336 1/20 0.30
PIK3CB P42338 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30

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
SCHEMBL2993241 0.92 CD274 (0.32) PTGDR2TP53RAB9AMEN1KMT2A
SCHEMBL2991812 0.92 TGFBR1 (0.38) MEN1KMT2A
SCHEMBL2996055 0.89 PTGDR2 (0.33) PTGDR2MEN1KMT2APKMSCN9A
SCHEMBL2994855 0.88 PTGDR2 (0.36) PTGDR2TP53ALDH1A1F2SMN1; SMN2
SCHEMBL2996394 0.87 PTGDR2 (0.34) PTGDR2TP53MEN1KMT2APKM
SCHEMBL2990418 0.86 MCHR1 (0.34) PTGDR2TP53RAB9APKMSCN9A
SCHEMBL2991591 0.86 PTGDR2 (0.33) PTGDR2TP53RAB9AMEN1KMT2A
SCHEMBL2996528 0.85 CYP3A4 (0.34) TP53RAB9ASCN9A
SCHEMBL2987048 0.85 BRD4 (0.35) PIK3CA
SCHEMBL2995941 0.84 PTGDR2 (0.36) PTGDR2TP53ALDH1A1

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 PTGDR2 1281/4885TP53 737/4885RAB9A 808/4885
US-20100256141-A1 NOVEL BIS-AZAINDOLE DERIVATIVES, PREPARATION AND PHARMACEUTICAL USE THEREOF AS KINASE INHIBITORS BRSK2, KSR2, CDK2 PTGDR2 1281/4885TP53 737/4885RAB9A 808/4885

“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.