Sugi Predict

Sugi Predict / Compounds / SCHEMBL935684

SCHEMBL935684

SCHEMBL935684

CCN(c1cc(-c2c[nH]c3nccnc23)cc(Cl)n1)C1CCCC(NC(=O)CN(C)C)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC7 O00311 13/20 0.51
▸ PRKACA P17612 12/20 0.51
▸ CDK2 P24941 11/20 0.51
▸ HIPK2 Q9H2X6 11/20 0.51
▸ CDK9 P50750 10/20 0.51
▸ CLK2 P49760 10/20 0.51
▸ CDK5 Q00535 10/20 0.51
▸ DYRK1A Q13627 10/20 0.51
▸ MAP4K4 O95819 10/20 0.51
▸ PIM1 P11309 10/20 0.51
▸ GSK3B P49841 10/20 0.51
▸ DAPK3 O43293 9/20 0.51
▸ PRKX P51817 9/20 0.51
▸ PKN2 Q16513 9/20 0.51
▸ MINK1 Q8N4C8 9/20 0.51
▸ STK17A Q9UEE5 9/20 0.51
▸ MAP4K5 Q9Y4K4 9/20 0.51
▸ CSNK1A1 P48729 9/20 0.51
▸ CLK4 Q9HAZ1 9/20 0.51
▸ CDK7 P50613 8/20 0.51

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
SCHEMBL935975 0.84 CDC7 (0.60) CDC7PRKACACDK2HIPK2CDK9
SCHEMBL15673954 0.79 CDC7 (0.51) CDC7PRKACACDK2HIPK2CDK9
SCHEMBL14905755 0.72 CDC7 (0.75) CDC7PRKACACDK2HIPK2CDK9
SCHEMBL6128670 0.72 CDC7 (0.54) CDC7PRKACACDK2HIPK2CDK9
SCHEMBL934734 0.69 CDC7 (0.51) CDC7PRKACACDK2HIPK2CDK9
SCHEMBL14905754 0.68 CDC7 (0.56) CDC7PRKACACDK2HIPK2CDK9
SCHEMBL14905685 0.68 CDC7 (1.00) CDC7PRKACACDK2HIPK2CDK9
SCHEMBL14905752 0.67 CDC7 (0.73) CDC7PRKACACDK2HIPK2CDK9
SCHEMBL968641 0.65 CDC7 (0.50) CDC7PRKACACDK2HIPK2CDK9
SCHEMBL14713224 0.65 CDC7 (0.54) CDC7PRKACACDK2HIPK2CDK9

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 10 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 claimed
US-8383624-B2 Pyrrolopyrazine inhibitors of kinases ABBOTT LABORATORIES (US) 2013-02-26 — — US claimed
EP-2454262-A1 PYRROLOPYRAZINE INHIBITORS OF KINASES Abbott Laboratories (US) 2012-05-23 — — EP claimed
US-20110015172-A1 PYRROLOPYRAZINE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2011-01-20 — — US claimed
WO-2011008830-A1 PYRROLOPYRAZINE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2011-01-20 — — WO claimed
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 CDC7 1/4885PRKACA 125/4885CDK2 43/4885

“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.