SCHEMBL2529124

SCHEMBL2529124

CC(C)(C)Oc1cc(-c2cn(S(=O)(=O)c3ccccc3)c3ncccc23)cc(Cl)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.42
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41
CYP2C19 P33261 1/20 0.40
CDK2 P24941 3/20 0.38
CCNE1 P24864 2/20 0.38
PKM P14618 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
BRD4 O60885 1/20 0.34
CDC7 O00311 1/20 0.34
DAPK3 O43293 1/20 0.34
JAK2 O60674 1/20 0.34
ROCK2 O75116 1/20 0.34

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
SCHEMBL1049986 0.87 CYP2C19 (0.49) HTR6CCNCCDK8CYP2C19CDK2
SCHEMBL1044724 0.82 CDK2 (0.47) HTR6CCNCCDK8CYP2C19CDK2
SCHEMBL1051418 0.79 CDK8 (0.46) HTR6CCNCCDK8CYP2C19CDK2
SCHEMBL1049755 0.77 CCNC (0.46) HTR6CCNCCDK8CYP2C19CDK2
SCHEMBL1050301 0.77 CDK2 (0.57) HTR6CCNCCDK8CYP2C19CDK2
SCHEMBL2529105 0.76 HTR6 (0.51) HTR6CCNCCDK8CYP2C19CDK2
SCHEMBL1046359 0.76 DAPK3 (0.50) HTR6CCNCCDK8CDK2BRD4
SCHEMBL1048604 0.76 BRD4 (0.43) HTR6BRD4CDC7GSK3B
SCHEMBL1044612 0.75 CDC7 (0.47) HTR6CCNCCDK8CYP2C19CDK2
SCHEMBL1050976 0.75 CDC7 (0.56) HTR6CCNCCDK8CYP2C19CDK2

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
US-9181246-B2 Pyrrolopyridine inhibitors of kinases ABBVIE INC. (US) 2015-11-10 US disclosed
US-20140357616-A1 PYRROLOPYRIDINE INHIBITORS OF KINASES ABBVIE INC (US) 2014-12-04 US disclosed
US-8822446-B2 Pyrrolopyridine inhibitors of kinases ABBVIE INC. (US) 2014-09-02 US disclosed
CN-103003274-A Pyrrolopyridine inhibitors of kinases ABBVIE INC 2013-03-27 CN disclosed
US-20110257152-A1 PYRROLOPYRIDINE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2011-10-20 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 (2 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-20140357616-A1 PYRROLOPYRIDINE INHIBITORS OF KINASES CDC7, MAP3K7, CDK1 HTR6 4601/4885CCNC 35/4885CDK8 61/4885
US-20110257152-A1 PYRROLOPYRIDINE INHIBITORS OF KINASES CDC7, MAP3K7, CDK1 HTR6 4601/4885CCNC 35/4885CDK8 61/4885

“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.