SCHEMBL1046987

SCHEMBL1046987

CC(C)(C)OC(=O)N1CCC(C2CCC(Nc3cc(-c4cn(S(=O)(=O)c5ccccc5)c5ncccc45)cc(Cl)n3)CC2)C1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.39
BCHE P06276 1/20 0.38
GPR119 Q8TDV5 4/20 0.38
USP30 Q70CQ3 3/20 0.38
BRD4 O60885 1/20 0.38
CDC7 O00311 1/20 0.37
GSK3B P49841 1/20 0.37
EGFR P00533 1/20 0.36
SRC P12931 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
TGFBR1 P36897 1/20 0.36
NAMPT P43490 1/20 0.36
JAK2 O60674 1/20 0.35
JAK3 P52333 1/20 0.35
PTK2 Q05397 1/20 0.35
PDPK1 O15530 1/20 0.35
CCNT1 O60563 1/20 0.35
CDK9 P50750 1/20 0.35

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
SCHEMBL1051244 0.97 GPR119 (0.41) HTR6GPR119BRD4CDC7GSK3B
SCHEMBL1048604 0.93 BRD4 (0.43) HTR6GPR119USP30BRD4CDC7
SCHEMBL1047181 0.87 HTR6 (0.48) HTR6BCHEUSP30BRD4
SCHEMBL1044478 0.82 CDC7 (0.48) HTR6CDC7GSK3BEGFRJAK2
SCHEMBL1044476 0.82 CDC7 (0.48) HTR6CDC7GSK3BEGFRJAK2
SCHEMBL972080 0.81 USP30 (0.42) HTR6BCHEUSP30BRD4EGFR
SCHEMBL1050976 0.81 CDC7 (0.56) HTR6CDC7GSK3BEGFRJAK3
SCHEMBL25330586 0.78 MAPK8 (0.47) HTR6BCHEUSP30CCNT1CDK9
SCHEMBL25330584 0.78 MAPK8 (0.47) HTR6BCHEUSP30CCNT1CDK9
SCHEMBL1042762 0.77 CDC7 (0.62) CDC7GSK3BEGFRJAK2JAK3

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 4243/4885GPR119 3853/4885

“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.