SCHEMBL17318012

SCHEMBL17318012

CCOC(=O)C(C)(c1ccc(C2CC2)cn1)C(C#N)C#N

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ ACACB O00763 3/20 0.33
▸ CHRNA7 P36544 1/20 0.33
▸ ESR2 Q92731 1/20 0.33
▸ AOC3 Q16853 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ GLA P06280 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ CNR1 P21554 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ SSTR1 P30872 1/20 0.32
▸ SSTR4 P31391 1/20 0.32
▸ EP300 Q09472 2/20 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
SCHEMBL18730380 0.83 KDM4E (0.39) KMT2ASMN1; SMN2ACACBCHRNA7KDM4E
SCHEMBL19031895 0.81 CNR2 (0.38) KMT2ASMN1; SMN2MEN1GAAKDM4E
SCHEMBL16797513 0.81 SMN1; SMN2 (0.36) KMT2ASMN1; SMN2MEN1GAAKDM4E
SCHEMBL17318002 0.81 SMN1; SMN2 (0.36) KMT2ASMN1; SMN2MEN1GAAL3MBTL1
SCHEMBL17765327 0.81 GAA (0.36) KMT2ASMN1; SMN2MEN1GAAKDM4E
SCHEMBL17420561 0.77 DGAT1 (0.38) KMT2ASMN1; SMN2GAAESR2AOC3
SCHEMBL18982196 0.77 CYP4F2 (0.43) KMT2ASMN1; SMN2MEN1GAA
SCHEMBL17768392 0.76 KDM4E (0.37) KMT2ASMN1; SMN2MEN1GAAKDM4E
SCHEMBL19616595 0.71 CNR2 (0.39) KMT2AMEN1NPSR1L3MBTL1CNR2
SCHEMBL16797570 0.70 MEN1 (0.33) KMT2ASMN1; SMN2MEN1NPSR1KDM4E

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 KMT2A 4207/4885SMN1; SMN2 1156/4885MEN1 1824/4885

“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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