SCHEMBL935491

SCHEMBL935491

COC(=O)c1cnc2c(n1)c(I)cn2S(=O)(=O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
BRD4 O60885 1/20 0.42
SLC40A1 Q9NP59 1/20 0.36
CYP2C19 P33261 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTR6 P50406 4/20 0.35
PLK1 P53350 1/20 0.35
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PTGER4 P35408 1/20 0.34
PIK3C3 Q8NEB9 1/20 0.34
FBP1 P09467 1/20 0.34
MET P08581 1/20 0.33
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL1082937 0.78 BRD4 (0.54) MEN1KMT2ABRD4KDM4EALDH1A1
SCHEMBL2276043 0.77 BRD4 (0.45) MEN1KMT2ABRD4CYP2C19ALDH1A1
SCHEMBL969116 0.77 BRD4 (0.45) MEN1KMT2ABRD4SLC40A1CYP2C19
SCHEMBL934449 0.74 BRD4 (0.43) MEN1KMT2ABRD4SLC40A1CYP2C19
SCHEMBL13306694 0.73 CYP2C19 (0.49) MEN1KMT2ABRD4SLC40A1CYP2C19
SCHEMBL12615300 0.72 MEN1 (0.40) MEN1KMT2ACYP2C19KDM4EHTR6
SCHEMBL1268099 0.70 BRD4 (0.58) MEN1KMT2ABRD4HTR6POLB
SCHEMBL31275162 0.69 HTR6 (0.54) MEN1KMT2AALDH1A1HTR6LMNA
SCHEMBL1962967 0.69 CYP2C19 (0.52) MEN1KMT2ACYP2C19KDM4EALDH1A1
SCHEMBL13613784 0.69 KMT2A (0.59) MEN1KMT2ABRD4SLC40A1KDM4E

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 MEN1 1290/4885KMT2A 1288/4885BRD4 1408/4885

“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.