Sugi Predict

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SCHEMBL935104

SCHEMBL935104

Clc1cc(-c2c[nH]c3ncc(Cl)nc23)cc(NC2CCCCC2)n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC7 O00311 8/20 0.64
▸ GSK3B P49841 2/20 0.64
▸ CHEK1 O14757 2/20 0.50
▸ MAPK13 O15264 2/20 0.50
▸ DAPK3 O43293 2/20 0.50
▸ DYRK3 O43781 2/20 0.50
▸ PRKCG P05129 2/20 0.50
▸ CDK1 P06493 2/20 0.50
▸ FER P16591 2/20 0.50
▸ PRKACA P17612 2/20 0.50
▸ RPS6KB1 P23443 2/20 0.50
▸ MARK3 P27448 2/20 0.50
▸ MAPK1 P28482 2/20 0.50
▸ FLT4 P35916 2/20 0.50
▸ MAPK9 P45984 2/20 0.50
▸ CSNK1D P48730 2/20 0.50
▸ CDK8 P49336 2/20 0.50
▸ GSK3A P49840 2/20 0.50
▸ IRAK1 P51617 2/20 0.50
▸ PLK1 P53350 2/20 0.50

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
SCHEMBL935448 0.90 CDC7 (0.52) CDC7GSK3BCHEK1MAPK13DAPK3
SCHEMBL934895 0.90 CDC7 (0.57) CDC7GSK3BCHEK1MAPK13DAPK3
SCHEMBL934236 0.87 CDC7 (0.71) CDC7GSK3BCHEK1MAPK13DAPK3
SCHEMBL935403 0.87 CDC7 (0.56) CDC7GSK3BCHEK1MAPK13DAPK3
SCHEMBL934328 0.87 CDC7 (0.62) CDC7GSK3BCHEK1MAPK13DAPK3
SCHEMBL934988 0.86 CDC7 (0.61) CDC7GSK3BCHEK1MAPK13DAPK3
SCHEMBL935724 0.85 CDC7 (0.60) CDC7GSK3BCHEK1MAPK13DAPK3
SCHEMBL15673773 0.84 CDC7 (0.54) CDC7GSK3BCHEK1MAPK13DAPK3
SCHEMBL15190253 0.83 CDC7 (0.72) CDC7GSK3BCHEK1MAPK13DAPK3
SCHEMBL959280 0.82 CDC7 (0.56) CDC7GSK3BCHEK1MAPK13DAPK3

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 9 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
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 1/4885GSK3B 307/4885CHEK1 16/4885

“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.