SCHEMBL1049641

SCHEMBL1049641

CS(=O)(=O)N(c1cnc2c(c1)c(I)cn2S(=O)(=O)c1ccccc1)S(C)(=O)=O

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.56
HTR6 P50406 11/20 0.38
MET P08581 2/20 0.34
CYP2C19 P33261 1/20 0.34
DRD2 P14416 3/20 0.33
HTR7 P34969 3/20 0.33
HTR1A P08908 2/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
HTR1F P30939 1/20 0.33
DRD3 P35462 1/20 0.33
HTR2A P28223 2/20 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
SCHEMBL1050312 0.82 BRD4 (0.64) BRD4HTR6METCYP2C19LMNA
SCHEMBL1266871 0.79 BRD4 (0.58) BRD4HTR6METCYP2C19DRD2
SCHEMBL1773252 0.79 BRD4 (0.58) BRD4HTR6METCYP2C19DRD2
SCHEMBL1799967 0.79 BRD4 (0.67) BRD4HTR6METCYP2C19
SCHEMBL1043519 0.79 BRD4 (0.58) BRD4HTR6METCYP2C19DRD2
SCHEMBL1887325 0.79 BRD4 (0.58) BRD4HTR6METCYP2C19DRD2
SCHEMBL1042704 0.79 BRD4 (0.56) BRD4HTR6METCYP2C19
SCHEMBL1487598 0.79 BRD4 (0.61) BRD4HTR6METSMN1; SMN2
SCHEMBL19787914 0.79 BRD4 (0.58) BRD4HTR6METCYP2C19DRD2
SCHEMBL1268099 0.79 BRD4 (0.58) BRD4HTR6DRD2HTR7HTR1A

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
EP-2454257-B1 PYRROLOPYRIDINE INHIBITORS OF KINASES ABBVIE INC (US) 2013-08-21 EP disclosed
US-8435980-B2 Pyrrolopyridine inhibitors of kinases ABBVIE INC. (US) 2013-05-07 US disclosed
EP-2454257-A1 PYRROLOPYRIDINE INHIBITORS OF KINASES Abbott Laboratories (US) 2012-05-23 EP disclosed
WO-2011008915-A1 PYRROLOPYRIDINE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2011-01-20 WO disclosed
US-20110015173-A1 PYRROLOPYRIDINE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2011-01-20 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 (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-20110015173-A1 PYRROLOPYRIDINE INHIBITORS OF KINASES CDC7, MAP3K7, CDK1 BRD4 1274/4885HTR6 4601/4885MET 2917/4885

“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.