SCHEMBL935501

SCHEMBL935501

CS(=O)(=O)N1CCCC(Nc2cc(I)cc(Cl)n2)C1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 15/20 0.43
JAK3 P52333 15/20 0.43
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
JAK1 P23458 8/20 0.41
CNR1 P21554 2/20 0.40
CNR2 P34972 2/20 0.40

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
SCHEMBL935107 0.82 IL1B (0.47)
SCHEMBL935451 0.81 IDO1 (0.39)
SCHEMBL935236 0.76 PIM1 (0.46) JAK3
SCHEMBL993295 0.76 CDC7 (0.70) JAK2JAK3
SCHEMBL935927 0.76 JAK2 (0.52) JAK2JAK3JAK1
SCHEMBL936047 0.75 KMT2A (0.53)
SCHEMBL935824 0.74 USP30 (0.46) CNR1CNR2
SCHEMBL17196752 0.71 JAK2 (0.62) JAK2JAK3JAK1
SCHEMBL17196850 0.71 JAK2 (0.62) JAK2JAK3JAK1
SCHEMBL1045762 0.71 CDC7 (0.36) JAK3CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 JAK2 356/4885JAK3 469/4885CYP11B1 1686/4885

“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.