SCHEMBL17318002

SCHEMBL17318002

CCOC(=O)C(C)(c1ccc(CC)cn1)C(C#N)C#N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ KCNQ3 O43525 1/20 0.34
▸ KCNQ2 O43526 1/20 0.34
▸ KCNQ4 P56696 1/20 0.34
▸ KCNQ5 Q9NR82 1/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ RORC P51449 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ CCR9 P51686 1/20 0.32
▸ PPARD Q03181 1/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ IDO1 P14902 1/20 0.32
▸ OPRK1 P41145 1/20 0.32
▸ MMP8 P22894 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32

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
SCHEMBL18982196 0.88 CYP4F2 (0.43) SMN1; SMN2MEN1KMT2AGAA
SCHEMBL19031895 0.85 CNR2 (0.38) SMN1; SMN2MEN1KMT2AGAACCR9
SCHEMBL16797513 0.85 SMN1; SMN2 (0.36) SMN1; SMN2MEN1KMT2AGAANPC1
SCHEMBL18730405 0.85 NPC1 (0.39) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL17765327 0.84 GAA (0.36) SMN1; SMN2MEN1KMT2AGAAPOLB
SCHEMBL17318012 0.81 KMT2A (0.34) SMN1; SMN2MEN1KMT2AGAAL3MBTL1
SCHEMBL17768392 0.80 KDM4E (0.37) SMN1; SMN2MEN1KMT2AGAAKCNQ3
SCHEMBL14466833 0.75 KCNQ3 (0.42) SMN1; SMN2GAAKCNQ3KCNQ2KCNQ4
SCHEMBL19616595 0.74 CNR2 (0.39) MEN1KMT2APOLBL3MBTL1LMNA
SCHEMBL18982891 0.73 CNR2 (0.38) SMN1; SMN2MEN1KMT2AGAAPOLB

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-3152214-B1 IMIDAZO-PYRAZINE DERIVATIVES USEFUL AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME (US) 2020-01-29 — — EP disclosed
EP-3152214-B1 IMIDAZO-PYRAZINE DERIVATIVES USEFUL AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME (US) 2020-01-29 — — EP disclosed
US-9796733-B2 Imidazo-pyrazine derivatives useful as soluble guanylate cyclase activators MERCK SHARP & DOHME CORP. (US) 2017-10-24 — — US disclosed
US-9796733-B2 Imidazo-pyrazine derivatives useful as soluble guanylate cyclase activators MERCK SHARP & DOHME CORP. (US) 2017-10-24 — — US disclosed
US-20170107236-A1 IMIDAZO-PYRAZINE DERIVATIVES USEFUL AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. (US) 2017-04-20 — — US disclosed
US-20170107236-A1 IMIDAZO-PYRAZINE DERIVATIVES USEFUL AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. (US) 2017-04-20 — — US disclosed
EP-3152214-A1 IMIDAZO-PYRAZINE DERIVATIVES USEFUL AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS Merck Sharp & Dohme Corp. (US) 2017-04-12 — — EP disclosed
WO-2015187470-A1 IMIDAZO-PYRAZINE DERIVATIVES USEFUL AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. (US) 2015-12-10 — — WO disclosed
WO-2015187470-A1 IMIDAZO-PYRAZINE DERIVATIVES USEFUL AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. (US) 2015-12-10 — — 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-20170107236-A1 IMIDAZO-PYRAZINE DERIVATIVES USEFUL AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS PDE2A, PDE3A, PDE5A SMN1; SMN2 1156/4885MEN1 1824/4885KMT2A 4207/4885

“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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