SCHEMBL1714073

SCHEMBL1714073

N#Cc1cnc2[nH]cc(/C=C3\N=C(NCC4CC4)NC3=O)c2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VNN1 O95497 3/20 0.35
▸ BRD4 O60885 3/20 0.33
▸ CHEK1 O14757 3/20 0.33
▸ CHEK2 O96017 2/20 0.33
▸ JAK1 P23458 8/20 0.33
▸ JAK2 O60674 7/20 0.33
▸ TYK2 P29597 7/20 0.33
▸ JAK3 P52333 6/20 0.33
▸ DYRK3 O43781 1/20 0.32
▸ CLK1 P49759 1/20 0.32
▸ CLK2 P49760 1/20 0.32
▸ CLK3 P49761 1/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ DYRK1A Q13627 1/20 0.32
▸ DYRK2 Q92630 1/20 0.32
▸ CLK4 Q9HAZ1 1/20 0.32
▸ DYRK4 Q9NR20 1/20 0.32
▸ DYRK1B Q9Y463 1/20 0.32
▸ CHUK O15111 1/20 0.31
▸ EGLN2 Q96KS0 1/20 0.31

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
SCHEMBL1714075 1.00 VNN1 (0.35) VNN1BRD4CHEK1CHEK2JAK1
SCHEMBL1714634 0.86 BRD4 (0.36) BRD4DYRK3DYRK1ADYRK2DYRK1B
SCHEMBL1714637 0.86 BRD4 (0.36) BRD4DYRK3DYRK1ADYRK2DYRK1B
SCHEMBL1714320 0.85 CDC7 (0.33) BRD4JAK2DYRK3CLK1CLK2
SCHEMBL1714321 0.85 CDC7 (0.33) BRD4JAK2DYRK3CLK1CLK2
SCHEMBL1714409 0.85 PLK4 (0.33) BRD4JAK2JAK3CLK2DYRK1A
SCHEMBL1714215 0.85 CRHR1 (0.33) BRD4JAK2
SCHEMBL1714412 0.85 PLK4 (0.33) BRD4JAK2JAK3CLK2DYRK1A
SCHEMBL1714219 0.85 CRHR1 (0.33) BRD4JAK2
SCHEMBL1713934 0.84 MTNR1A (0.37) CHEK1CHEK2JAK1JAK2TYK2

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
US-8314121-B2 Imidazolone derivatives, preparation thereof as drugs, pharmaceutical compositions, and use thereof as protein kinase inhibitors, in particular CDC7 SANOFI (FR) 2012-11-20 — — US claimed
US-20090253679-A1 NEW IMIDAZOLONE DERIVATIVES, PREPARATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS, AND USE THEREOF AS PROTEIN KINASE INHIBITORS, IN PARTICULAR CDC7 SANOFI-AVENTIS (FR) 2009-10-08 — — US claimed
US-8314121-B2 Imidazolone derivatives, preparation thereof as drugs, pharmaceutical compositions, and use thereof as protein kinase inhibitors, in particular CDC7 SANOFI (FR) 2012-11-20 — — US disclosed
US-8314121-B2 Imidazolone derivatives, preparation thereof as drugs, pharmaceutical compositions, and use thereof as protein kinase inhibitors, in particular CDC7 SANOFI (FR) 2012-11-20 — — US disclosed
US-8314121-B2 Imidazolone derivatives, preparation thereof as drugs, pharmaceutical compositions, and use thereof as protein kinase inhibitors, in particular CDC7 SANOFI (FR) 2012-11-20 — — US disclosed
EP-2094699-B1 NEW IMIDAZOLONE DERIVATIVES, PREPARATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS, AND USE THEREOF AS PROTEIN KINASE INHIBITORS, IN PARTICULAR CDC7 SANOFI AVENTIS (FR) 2011-07-20 — — EP disclosed
US-20090253679-A1 NEW IMIDAZOLONE DERIVATIVES, PREPARATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS, AND USE THEREOF AS PROTEIN KINASE INHIBITORS, IN PARTICULAR CDC7 SANOFI-AVENTIS (FR) 2009-10-08 — — US disclosed
US-20090253679-A1 NEW IMIDAZOLONE DERIVATIVES, PREPARATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS, AND USE THEREOF AS PROTEIN KINASE INHIBITORS, IN PARTICULAR CDC7 SANOFI-AVENTIS (FR) 2009-10-08 — — US disclosed
US-20090253679-A1 NEW IMIDAZOLONE DERIVATIVES, PREPARATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS, AND USE THEREOF AS PROTEIN KINASE INHIBITORS, IN PARTICULAR CDC7 SANOFI-AVENTIS (FR) 2009-10-08 — — 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-20090253679-A1 NEW IMIDAZOLONE DERIVATIVES, PREPARATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS, AND USE THEREOF AS PROTEIN KINASE INHIBITORS, IN PARTICULAR CDC7 CDC7, CDK7, CDK17 VNN1 4502/4885BRD4 1806/4885CHEK1 17/4885

“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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