SCHEMBL9978258

SCHEMBL9978258

COC(=O)C(C)(c1ccccc1)C(C#N)C#N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNN4 O15554 1/20 0.51
▸ SRC P12931 1/20 0.40
▸ HDAC3 O15379 1/20 0.39
▸ HDAC4 P56524 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC7 Q8WUI4 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ HDAC10 Q969S8 1/20 0.39
▸ HDAC11 Q96DB2 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ HDAC9 Q9UKV0 1/20 0.39
▸ HDAC5 Q9UQL6 1/20 0.39
▸ PLCG1 P19174 1/20 0.38
▸ CTSL P07711 1/20 0.38
▸ ANPEP P15144 1/20 0.37
▸ ELANE P08246 1/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ MAPT P10636 2/20 0.37
▸ MEN1 O00255 1/20 0.37

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
SCHEMBL16795993 0.84 SMN1; SMN2 (0.40) KCNN4CTSLKMT2AMAPTMEN1
SCHEMBL19423364 0.84 KCNN4 (0.34) KCNN4PLCG1
SCHEMBL19423359 0.84 KCNN4 (0.34) KCNN4PLCG1
SCHEMBL16795999 0.84 KCNN4 (0.34) KCNN4PLCG1
SCHEMBL4222858 0.80 KCNN4 (0.58) KCNN4SRCHDAC3HDAC4HDAC1
SCHEMBL9978276 0.78 PLCG1 (0.46) KCNN4HDAC6PLCG1KMT2AMAPT
SCHEMBL18982724 0.78 KDM4E (0.39) KCNN4PLCG1MAPTKDM4E
SCHEMBL16797695 0.76 AR (0.42) PLCG1MAPTKDM4E
SCHEMBL16795991 0.75 KCNN4 (0.45) KCNN4CTSLKMT2AMAPTMEN1
SCHEMBL19047418 0.75 PLCG1 (0.40) PLCG1

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3303342-B1 IMIDAZO-PYRAZINYL DERIVATIVES USEFUL AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME (US) 2021-03-17 — — EP disclosed
EP-3303342-B1 IMIDAZO-PYRAZINYL DERIVATIVES USEFUL AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME (US) 2021-03-17 — — EP disclosed
EP-3079700-B1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME (US) 2020-11-25 — — EP disclosed
EP-3079700-B1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME (US) 2020-11-25 — — EP disclosed
US-10245264-B2 Substituted imidazo[1,2-a]pyrazines as soluble guanylate cyclase activators MERCK SHARP & DOHME CORP. (US) 2019-04-02 — — US disclosed
US-10245264-B2 Substituted imidazo[1,2-a]pyrazines as soluble guanylate cyclase activators MERCK SHARP & DOHME CORP. (US) 2019-04-02 — — US disclosed
US-20180147208-A1 IMIDAZO-PYRAZINYL DERIVATIVES USEFUL AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. (US) 2018-05-31 — — US disclosed
US-20180147208-A1 IMIDAZO-PYRAZINYL DERIVATIVES USEFUL AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. (US) 2018-05-31 — — US disclosed
EP-3303342-A1 IMIDAZO-PYRAZINYL DERIVATIVES USEFUL AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS Merck Sharp & Dohme Corp. (US) 2018-04-11 — — EP disclosed
US-9783552-B2 Soluble guanylate cyclase activators MERCK SHARP & DOHME CORP. (US) 2017-10-10 — — US disclosed
US-9365574-B2 Soluble guanylate cyclase activators MERCK SHARP & DOHME CORP. (US) 2016-06-14 — — US disclosed
EP-2575473-B1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME (US) 2016-01-20 — — EP disclosed
CN-103096718-B Soluble guanylate cyclase activators MERCK SHARP & DOHME CORP. (US) 2016-01-20 — — CN disclosed
WO-2015088886-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. (US) 2015-06-18 — — WO disclosed
WO-2015088886-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. (US) 2015-06-18 — — WO disclosed
CN-103096718-A Soluble guanylate cyclase activators MERCK SHARP & DOHME 2013-05-08 — — CN disclosed
EP-2575473-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS Merck Sharp & Dohme Corp. (US) 2013-04-10 — — EP disclosed
US-20130072492-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME LLC 2013-03-21 — — US disclosed
US-20130072492-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME LLC 2013-03-21 — — US disclosed
WO-2011149921-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. (US) 2011-12-01 — — 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-20180147208-A1 IMIDAZO-PYRAZINYL DERIVATIVES USEFUL AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS PDE3A, PRKG1, PDE2A KCNN4 1861/4885SRC 1005/4885HDAC3 3175/4885
US-20130072492-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS GUCY1A2, GUCY1A1, PDE2A KCNN4 1887/4885SRC 1595/4885HDAC3 4312/4885
US-10245264-B2 Substituted imidazo[1,2-a]pyrazines as soluble guanylate cyclase activators GUCY1A1, GUCY1A2, PDE2A KCNN4 1867/4885SRC 1224/4885HDAC3 4283/4885

“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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