SCHEMBL1048604

SCHEMBL1048604

CC(C)(C)OC(=O)N1CCC(Nc2cc(-c3cn(S(=O)(=O)c4ccccc4)c4ncccc34)cc(Cl)n2)CC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.43
HTR6 P50406 2/20 0.42
GPR119 Q8TDV5 3/20 0.42
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
CDC7 O00311 1/20 0.40
GSK3B P49841 1/20 0.40
CCNT1 O60563 1/20 0.40
PRMT5 O14744 1/20 0.40
STS P08842 1/20 0.40
TGFBR1 P36897 2/20 0.39
SYK P43405 1/20 0.39
JAK1 P23458 1/20 0.39
CCR8 P51685 1/20 0.39
USP30 Q70CQ3 1/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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 0.96 GPR119 (0.41) BRD4HTR6GPR119CNR1CNR2
SCHEMBL1046987 0.93 HTR6 (0.39) BRD4HTR6GPR119CNR1CNR2
SCHEMBL1044476 0.85 CDC7 (0.48) HTR6CDC7GSK3BSYK
SCHEMBL1044478 0.85 CDC7 (0.48) HTR6CDC7GSK3BSYK
SCHEMBL1050976 0.84 CDC7 (0.56) HTR6CDC7GSK3BSYK
SCHEMBL972080 0.82 USP30 (0.42) BRD4HTR6CNR1CNR2PRMT5
SCHEMBL25330586 0.80 MAPK8 (0.47) HTR6CCNT1USP30
SCHEMBL25330584 0.80 MAPK8 (0.47) HTR6CCNT1USP30
SCHEMBL1047181 0.80 HTR6 (0.48) BRD4HTR6USP30
SCHEMBL1051418 0.79 CDK8 (0.46) HTR6CDC7

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 4601/4885GPR119 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.