SCHEMBL13258778

SCHEMBL13258778

N#Cc1cccc(-c2cn3c(C#N)cnc(N[C@H]4CCCNC4)c3n2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 9/20 0.56
▸ MAPKAPK2 P49137 4/20 0.56
▸ IRAK4 Q9NWZ3 5/20 0.49
▸ PDPK1 O15530 1/20 0.44
▸ RPS6KB1 P23443 1/20 0.44
▸ CCNT1 O60563 2/20 0.42
▸ CCNK O75909 2/20 0.42
▸ CCNE1 P24864 2/20 0.42
▸ CDK2 P24941 2/20 0.42
▸ CDK9 P50750 2/20 0.42
▸ CDK12 Q9NYV4 2/20 0.42
▸ LRRK2 Q5S007 1/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ CLK4 Q9HAZ1 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ LCK P06239 1/20 0.40
▸ RET P07949 1/20 0.40
▸ PDGFRB P09619 1/20 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
SCHEMBL13259773 0.86 CHEK1 (0.69) CHEK1MAPKAPK2IRAK4PDPK1RPS6KB1
SCHEMBL13258891 0.76 CHEK1 (0.80) CHEK1MAPKAPK2IRAK4PDPK1RPS6KB1
SCHEMBL13258882 0.76 CHEK1 (0.81) CHEK1MAPKAPK2IRAK4PDPK1RPS6KB1
SCHEMBL13258967 0.75 CHEK1 (0.78) CHEK1MAPKAPK2IRAK4PDPK1RPS6KB1
SCHEMBL13259792 0.74 CHEK1 (0.67) CHEK1MAPKAPK2IRAK4CYP1A2CYP2C19
SCHEMBL13258798 0.74 CHEK1 (0.55) CHEK1MAPKAPK2IRAK4LCK
SCHEMBL13776792 0.74 CHEK1 (0.75) CHEK1MAPKAPK2IRAK4PDPK1RPS6KB1
SCHEMBL13258969 0.72 CHEK1 (1.00) CHEK1MAPKAPK2IRAK4KCNH2LCK
SCHEMBL13258887 0.71 CHEK1 (0.79) CHEK1MAPKAPK2IRAK4PDPK1RPS6KB1
SCHEMBL5543550 0.71 LRRK2 (0.40) CHEK1MAPKAPK2IRAK4CDK2LRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010088368-A2 IMIDAZOPYRAZINES AS PROTEIN KINASE INHIBITORS SCHERING CORPORATION (US) 2010-08-05 — — WO disclosed
US-20090175852-A1 IMIDAZOPYRAZINES AS PROTEIN KINASE INHIBITORS SCHERING CORPORATION 2009-07-09 — — US disclosed
US-20090175852-A1 IMIDAZOPYRAZINES AS PROTEIN KINASE INHIBITORS SCHERING CORPORATION 2009-07-09 — — US 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-20090175852-A1 IMIDAZOPYRAZINES AS PROTEIN KINASE INHIBITORS CHEK1, CHEK2, CDKN1A CHEK1 1/4885MAPKAPK2 43/4885IRAK4 275/4885

“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.

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