SCHEMBL4102422

SCHEMBL4102422

C#Cc1cnc(C(N)=O)n1C

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.32
▸ ABL1 P00519 3/20 0.32
▸ DAPK3 O43293 1/20 0.31
▸ CSNK1A1 P48729 1/20 0.31
▸ LIMK1 P53667 1/20 0.31
▸ TNK2 Q07912 1/20 0.31
▸ ROCK1 Q13464 1/20 0.31
▸ CLK4 Q9HAZ1 1/20 0.31
▸ DYRK1B Q9Y463 1/20 0.31
▸ MAP4K4 O95819 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
SCHEMBL14354118 0.84 KEAP1 (0.30) —
SCHEMBL14378651 0.82 — —
SCHEMBL1387743 0.73 SIRT3 (0.37) DAPK3CSNK1A1LIMK1TNK2ROCK1
SCHEMBL1387686 0.72 DAPK3 (0.33) DAPK3CSNK1A1LIMK1TNK2ROCK1
SCHEMBL27883858 0.72 DAPK3 (0.33) DAPK3CSNK1A1LIMK1TNK2ROCK1
SCHEMBL11909714 0.71 — —
SCHEMBL12851752 0.69 ALDH1A1 (0.35) DAPK3CSNK1A1LIMK1TNK2ROCK1
SCHEMBL14476224 0.69 PARP1 (0.33) PARP1DAPK3CSNK1A1LIMK1TNK2
SCHEMBL12852020 0.68 ABL1 (0.51) ABL1
SCHEMBL30618874 0.68 LMNA (0.35) DAPK3CSNK1A1LIMK1TNK2ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170369446-A1 MONOCYCLIC HETEROARYL COMPOUNDS ARIAD PHARMA INC (US) 2017-12-28 — — US disclosed
US-20170369446-A1 MONOCYCLIC HETEROARYL COMPOUNDS ARIAD PHARMA INC (US) 2017-12-28 — — US disclosed
EP-2024366-B1 MONOCYCLIC HETEROARYL COMPOUNDS ARIAD PHARMA INC (US) 2015-09-16 — — EP disclosed
US-20130005738-A1 Monocyclic Heteroaryl Compounds ARIAD PHARMACEUTICALS, INC. (US) 2013-01-03 — — US disclosed
US-20130005738-A1 Monocyclic Heteroaryl Compounds ARIAD PHARMACEUTICALS, INC. (US) 2013-01-03 — — US disclosed
US-20130005738-A1 Monocyclic Heteroaryl Compounds ARIAD PHARMACEUTICALS, INC. (US) 2013-01-03 — — US disclosed
US-8278307-B2 Monocyclic Heteroaryl compounds ARIAD PHARMACEUTICALS, INC. (US) 2012-10-02 — — US disclosed
US-8278307-B2 Monocyclic Heteroaryl compounds ARIAD PHARMACEUTICALS, INC. (US) 2012-10-02 — — US disclosed
US-20090149471-A1 Monocyclic Heterocyclic Compounds ARIAD PHARMACEUTICALS, INC. 2009-06-11 — — US disclosed
US-20090149471-A1 Monocyclic Heterocyclic Compounds ARIAD PHARMACEUTICALS, INC. 2009-06-11 — — US disclosed
EP-2024366-A2 MONOCYCLIC HETEROARYL COMPOUNDS ARIAD PHARMACEUTICALS, INC. (US) 2009-02-18 — — EP disclosed
WO-2007133562-A2 MONOCYCLIC HETEROARYL COMPOUNDS ARIAD PHARMACEUTICALS, INC. (US) 2007-11-22 — — 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 (3 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-20090149471-A1 Monocyclic Heterocyclic Compounds CYP11B2, CYP3A5, CYP1A2 PARP1 1771/4885ABL1 357/4885DAPK3 3400/4885
US-20130005738-A1 Monocyclic Heteroaryl Compounds CYP3A43, CYP2F1, CYP11B2 PARP1 1335/4885ABL1 71/4885DAPK3 3411/4885
US-20170369446-A1 MONOCYCLIC HETEROARYL COMPOUNDS CYP3A43, CYP2F1, CYP11B2 PARP1 1335/4885ABL1 71/4885DAPK3 3411/4885

“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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