SCHEMBL955459

SCHEMBL955459

O=C(NC1CCCC(Nc2cc(I)cc(Cl)n2)C1)C1CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.43
PTGES O14684 10/20 0.38
CDK9 P50750 3/20 0.36
CDC7 O00311 1/20 0.36
DAPK3 O43293 1/20 0.36
ROCK2 O75116 1/20 0.36
PRKD3 O94806 1/20 0.36
MAP4K4 O95819 1/20 0.36
PAK4 O96013 1/20 0.36
PIM1 P11309 1/20 0.36
PRKACA P17612 1/20 0.36
CDK2 P24941 1/20 0.36
FLT3 P36888 1/20 0.36
CSNK1A1 P48729 1/20 0.36
CDK8 P49336 1/20 0.36
CLK2 P49760 1/20 0.36
GSK3B P49841 1/20 0.36
CDK7 P50613 1/20 0.36
PRKX P51817 1/20 0.36
JAK3 P52333 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
SCHEMBL935321 0.88 PDGFRB (0.40) PTGESCDK9JAK3TSHRPTGS2
SCHEMBL935319 0.88 PDGFRB (0.40) PTGESCDK9JAK3TSHRPTGS2
SCHEMBL993359 0.82 BTK (0.48) GRM5CDK9CDC7DAPK3ROCK2
SCHEMBL955397 0.81 CDK9 (0.51) GRM5CDK9CDC7DAPK3ROCK2
SCHEMBL1050888 0.77 PIM1 (0.42) CDK9CDC7DAPK3ROCK2PRKD3
SCHEMBL935236 0.77 PIM1 (0.46) CDK9CDC7DAPK3ROCK2PRKD3
SCHEMBL1045762 0.76 CDC7 (0.36) CDK9CDC7DAPK3ROCK2PRKD3
SCHEMBL936047 0.76 KMT2A (0.53) CDC7DAPK3PAK4PRKACACDK8
SCHEMBL1044767 0.75 CDC7 (0.70) CDK9CDC7DAPK3ROCK2PRKD3
SCHEMBL934734 0.75 CDC7 (0.51) CDK9CDC7DAPK3ROCK2PRKD3

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 GRM5 3603/4885PTGES 4269/4885CDK9 164/4885

“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.