SCHEMBL1047181

SCHEMBL1047181

CC(C)(C)OC(=O)N1CCCC(C2CCC(Nc3cc(-c4cn(S(=O)(=O)c5ccccc5)c5ccccc45)cc(Cl)n3)CC2)C1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 14/20 0.48
BCHE P06276 3/20 0.46
USP30 Q70CQ3 1/20 0.38
BRD4 O60885 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
APLNR P35414 1/20 0.36

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
SCHEMBL1046987 0.87 HTR6 (0.39) HTR6BCHEUSP30BRD4
SCHEMBL1051244 0.83 GPR119 (0.41) HTR6BRD4
SCHEMBL1048604 0.80 BRD4 (0.43) HTR6USP30BRD4
SCHEMBL972080 0.80 USP30 (0.42) HTR6BCHEUSP30BRD4APLNR
SCHEMBL16655047 0.76 HTR6 (0.53) HTR6BCHE
SCHEMBL16655048 0.76 HTR6 (0.53) HTR6BCHE
SCHEMBL29613414 0.76 HTR6 (0.53) HTR6BCHE
SCHEMBL992935 0.76 USP30 (0.39) USP30MEN1KMT2A
SCHEMBL17140975 0.76 HTR6 (0.48) HTR6BCHEUSP30
SCHEMBL17140976 0.76 HTR6 (0.48) HTR6BCHEUSP30

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 HTR6 4601/4885BCHE 4243/4885USP30 2548/4885

“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.