SCHEMBL3955112

SCHEMBL3955112

NC(=O)c1[nH]c2ncc(NS(=O)(=O)c3ccc(-c4ccccc4)cc3)cc2c1-c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAP2 P11137 6/20 0.60
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
FABP1 P07148 1/20 0.46
SERPINE1 P05121 2/20 0.46
CHEK2 O96017 2/20 0.45
BRAF P15056 1/20 0.45
POLB P06746 1/20 0.44
UQCRB P14927 1/20 0.43
PIK3CA P42336 1/20 0.43
HTR1A P08908 1/20 0.43
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43
HTR2A P28223 1/20 0.43
HTR6 P50406 1/20 0.43
PFKFB3 Q16875 1/20 0.43
MET P08581 1/20 0.42
AURKA O14965 1/20 0.42
AURKB Q96GD4 1/20 0.42

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
SCHEMBL3958387 0.91 SERPINE1 (0.49) MAP2FABP1SERPINE1POLBUQCRB
SCHEMBL4142121 0.90 MAP2 (0.54) MAP2CA1CA2SERPINE1POLB
SCHEMBL4404817 0.85 FABP1 (0.44) MAP2FABP1SERPINE1CHEK2BRAF
SCHEMBL3961023 0.84 MAPT (0.52) FABP1SERPINE1POLBPIK3CAAURKA
SCHEMBL4070333 0.82 FABP1 (0.45) FABP1SERPINE1POLBUQCRBPIK3CA
SCHEMBL4072263 0.82 ACLY (0.48) MAP2SERPINE1
SCHEMBL3957017 0.82 SERPINE1 (0.54) MAP2CA1CA2SERPINE1POLB
SCHEMBL13910226 0.81 SERPINE1 (0.51) MAP2CA1CA2SERPINE1POLB
SCHEMBL3952175 0.80 FABP1 (0.39) MAP2FABP1SERPINE1POLBPIK3CA
SCHEMBL4152162 0.80 FABP1 (0.39) MAP2FABP1SERPINE1POLBPIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090098189-A1 AZAINDOLES AS INHIBITORS OF SOLUBLE ADENYLATE CYCLASE BAYER SCHERING PHARMA AG (DE) 2009-04-16 US claimed
WO-2009030725-A2 AZAINDOLES AS INHIBITORS OF SOLUBLE ADENYLATE CYCLASE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-03-12 WO claimed
US-20090098189-A1 AZAINDOLES AS INHIBITORS OF SOLUBLE ADENYLATE CYCLASE BAYER SCHERING PHARMA AG (DE) 2009-04-16 US disclosed
US-20090098189-A1 AZAINDOLES AS INHIBITORS OF SOLUBLE ADENYLATE CYCLASE BAYER SCHERING PHARMA AG (DE) 2009-04-16 US disclosed
US-20090098189-A1 AZAINDOLES AS INHIBITORS OF SOLUBLE ADENYLATE CYCLASE BAYER SCHERING PHARMA AG (DE) 2009-04-16 US disclosed
EP-2036906-A1 Azaindoles as inhibitors of soluble adenylate cyclase Bayer Schering Pharma Aktiengesellschaft (DE) 2009-03-18 EP disclosed
WO-2009030725-A2 AZAINDOLES AS INHIBITORS OF SOLUBLE ADENYLATE CYCLASE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-03-12 WO disclosed
WO-2009030725-A2 AZAINDOLES AS INHIBITORS OF SOLUBLE ADENYLATE CYCLASE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-03-12 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 (1 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-20090098189-A1 AZAINDOLES AS INHIBITORS OF SOLUBLE ADENYLATE CYCLASE ADCY1, ADCY5, ADCY2 MAP2 3738/4885CA1 2167/4885CA2 1395/4885

“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.