SCHEMBL935451

SCHEMBL935451

CS(=O)(=O)N1CCCC(CNc2cc(I)cc(Cl)n2)C1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.39
PTGS2 P35354 1/20 0.37
CYP4F2 P78329 2/20 0.37
CYP4A11 Q02928 2/20 0.37
IRAK1 P51617 2/20 0.36
KAT8 Q9H7Z6 1/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.35
GLA P06280 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
RAB9A P51151 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
SCHEMBL934391 0.84 KCNH2 (0.38) MEN1KMT2A
SCHEMBL935501 0.81 JAK2 (0.43)
SCHEMBL1051200 0.78 CDC7 (0.62) IRAK1
SCHEMBL935404 0.77 CDC7 (0.48) CYP4F2CYP4A11IRAK1
SCHEMBL993067 0.71 LCK (0.55)
SCHEMBL935914 0.71 CCNT1 (0.45)
SCHEMBL21430417 0.70 TSHR (0.44) IDO1CYP4F2CYP4A11POLBTSHR
SCHEMBL1045294 0.69 CDC7 (0.57) IRAK1
SCHEMBL31616184 0.68 TSHR (0.45) IDO1CYP4F2CYP4A11POLBTSHR
SCHEMBL21430430 0.68 TSHR (0.45) IDO1CYP4F2CYP4A11POLBTSHR

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 IDO1 3648/4885PTGS2 3710/4885CYP4F2 2914/4885

“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.