SCHEMBL952331

SCHEMBL952331

O=S(=O)(c1ccccc1)n1cc(-c2cc(Cl)nc(Cl)c2)c2nccnc21

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.44
HTR6 P50406 8/20 0.41
PKM P14618 1/20 0.39
CCNE1 P24864 2/20 0.36
CDK2 P24941 2/20 0.36
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
MET P08581 1/20 0.36
ELAVL1 Q15717 1/20 0.36
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
BRD4 O60885 1/20 0.35
SLC40A1 Q9NP59 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
SCHEMBL958790 0.85 MAPK14 (0.51) CDK8
SCHEMBL1049986 0.84 CYP2C19 (0.49) CYP2C19HTR6PKMCCNE1CDK2
SCHEMBL970398 0.79 CDC7 (0.39) HTR6CCNE1CDK2
SCHEMBL970112 0.78 HTR6 (0.38) HTR6CDK2CDK8
SCHEMBL1044724 0.78 CDK2 (0.47) CYP2C19HTR6PKMCCNE1CDK2
SCHEMBL1051384 0.74 HTR6 (0.46) HTR6ELAVL1BRD4
SCHEMBL29604761 0.74 CYP2C19 (0.42) CYP2C19HTR6CCNE1CDK2MET
SCHEMBL13306694 0.73 CYP2C19 (0.49) CYP2C19HTR6PKMCCNE1CDK2
SCHEMBL956933 0.73 CYP2C19 (0.49) CYP2C19HTR6PKMCCNE1CDK2
SCHEMBL1049755 0.73 CCNC (0.46) CYP2C19HTR6PKMCCNE1CDK2

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-2454262-B1 PYRROLOPYRAZINE INHIBITORS OF KINASES ABBOTT LAB (US) 2014-05-14 EP disclosed
US-8383624-B2 Pyrrolopyrazine inhibitors of kinases ABBOTT LABORATORIES (US) 2013-02-26 US disclosed
EP-2454262-A1 PYRROLOPYRAZINE INHIBITORS OF KINASES Abbott Laboratories (US) 2012-05-23 EP disclosed
US-20110015172-A1 PYRROLOPYRAZINE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2011-01-20 US disclosed
WO-2011008830-A1 PYRROLOPYRAZINE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2011-01-20 WO 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-20110015172-A1 PYRROLOPYRAZINE INHIBITORS OF KINASES CDC7, CDK7, CDK17 CYP2C19 3532/4885HTR6 4700/4885PKM 364/4885

“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.