SCHEMBL956933

SCHEMBL956933

O=S(=O)(c1ccccc1)n1cc(Br)c2nccnc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.49
MET P08581 1/20 0.42
HTR6 P50406 7/20 0.42
CCNE1 P24864 2/20 0.40
CDK2 P24941 2/20 0.40
SLC40A1 Q9NP59 1/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PKM P14618 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PARL Q9H300 1/20 0.37
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
HTR2A P28223 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
SCHEMBL29604813 0.85 CA1 (0.51) SLC40A1ALDH1A1LMNAHTTKMT2A
SCHEMBL20111657 0.85 CA1 (0.51) SLC40A1ALDH1A1LMNAHTTKMT2A
SCHEMBL13306694 0.82 CYP2C19 (0.49) CYP2C19METHTR6CCNE1CDK2
SCHEMBL1049380 0.81 HTR6 (0.55) CYP2C19METHTR6CCNE1CDK2
SCHEMBL959559 0.78 CYP2C19 (0.46) CYP2C19METHTR6CCNE1CDK2
SCHEMBL2105176 0.77 CYP2C19 (0.45) CYP2C19METHTR6CCNE1CDK2
SCHEMBL29604888 0.75 CA1 (0.47) MEN1ALDH1A1LMNAHTTKMT2A
SCHEMBL29604761 0.74 CYP2C19 (0.42) CYP2C19METHTR6CCNE1CDK2
SCHEMBL8241397 0.73 HTR6 (0.48) CYP2C19METHTR6CDK2LMNA
SCHEMBL952331 0.73 CYP2C19 (0.44) CYP2C19METHTR6CCNE1CDK2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2558469-B1 PYRROLOPYRAZINONE INHIBITORS OF KINASES ABBVIE INC (US) 2014-08-13 EP disclosed
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-2558469-A1 PYRROLOPYRAZINONE INHIBITORS OF KINASES Abbvie Inc. (US) 2013-02-20 EP disclosed
CN-102933584-A Pyrrolopyrazinone inhibitors of kinases ABBVIE INC 2013-02-13 CN disclosed
EP-2454262-A1 PYRROLOPYRAZINE INHIBITORS OF KINASES Abbott Laboratories (US) 2012-05-23 EP disclosed
CN-102471345-A Pyrrolopyrazine inhibitors of kinases ABBOTT LAB 2012-05-23 CN disclosed
WO-2011130481-A1 PYRROLOPYRAZINONE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2011-10-20 WO 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 3532/4885MET 2469/4885HTR6 4700/4885

“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.