SCHEMBL17765157

SCHEMBL17765157

CCOC(=O)C(C)(c1ncc(C(F)(F)F)cn1)C(C#N)C#N

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.41
▸ GAA P10253 3/20 0.40
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ L3MBTL1 Q9Y468 3/20 0.38
▸ HPGD P15428 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ GLA P06280 1/20 0.37
▸ RECQL P46063 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ AGBL2 Q5U5Z8 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL17765252 0.81 AGBL2 (0.36) POLBGAAKMT2ASMN1; SMN2L3MBTL1
SCHEMBL17768392 0.81 KDM4E (0.37) POLBGAAMEN1KMT2ASMN1; SMN2
SCHEMBL17765124 0.78 POLB (0.47) POLBGAAMEN1KMT2ASMN1; SMN2
SCHEMBL16797513 0.74 SMN1; SMN2 (0.36) POLBGAAMEN1KMT2ASMN1; SMN2
SCHEMBL17318022 0.74 MAPT (0.42) GAAMEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL22702433 0.73 CNR2 (0.42) GAAMEN1KMT2ASMN1; SMN2HPGD
SCHEMBL17765327 0.73 GAA (0.36) POLBGAAMEN1KMT2ASMN1; SMN2
SCHEMBL14776796 0.72 MEN1 (0.33) POLBGAAMEN1KMT2ASMN1; SMN2
SCHEMBL12065569 0.72 MEN1 (0.34) POLBGAAMEN1KMT2ASMN1; SMN2
SCHEMBL17318002 0.72 SMN1; SMN2 (0.36) POLBGAAMEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10925876-B2 Methods for using triazolo-pyrazinyl soluble guanylate cyclase activators in fibrotic disorders MERCK SHARP & DOHME CORP. (US) 2021-02-23 — — US disclosed
US-10925876-B2 Methods for using triazolo-pyrazinyl soluble guanylate cyclase activators in fibrotic disorders MERCK SHARP & DOHME CORP. (US) 2021-02-23 — — US disclosed
EP-3221319-B1 TRIAZOLO-PYRAZINYL DERIVATIVES USEFUL AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME (US) 2019-10-30 — — EP disclosed
EP-3221319-B1 TRIAZOLO-PYRAZINYL DERIVATIVES USEFUL AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME (US) 2019-10-30 — — EP disclosed
US-20190282579-A1 METHODS FOR USING TRIAZOLO-PYRAZINYL SOLUBLE GUANYLATE CYCLASE ACTIVATORS IN FIBROTIC DISORDERS MERCK SHARP & DOHME CORP. (US) 2019-09-19 — — US disclosed
US-20190282579-A1 METHODS FOR USING TRIAZOLO-PYRAZINYL SOLUBLE GUANYLATE CYCLASE ACTIVATORS IN FIBROTIC DISORDERS MERCK SHARP & DOHME CORP. (US) 2019-09-19 — — US disclosed
EP-3458063-A1 METHODS FOR USING TRIAZOLO-PYRAZINYL SOLUBLE GUANYLATE CYCLASE ACTIVATORS IN FIBROTIC DISORDERS Merck Sharp & Dohme Corp. (US) 2019-03-27 — — EP disclosed
WO-2017200857-A1 METHODS FOR USING TRIAZOLO-PYRAZINYL SOLUBLE GUANYLATE CYCLASE ACTIVATORS IN FIBROTIC DISORDERS MERCK SHARP & DOHME CORP. (US) 2017-11-23 — — WO disclosed
WO-2017200857-A1 METHODS FOR USING TRIAZOLO-PYRAZINYL SOLUBLE GUANYLATE CYCLASE ACTIVATORS IN FIBROTIC DISORDERS MERCK SHARP & DOHME CORP. (US) 2017-11-23 — — WO disclosed
US-9822130-B2 Triazolo-pyrazinyl derivatives useful as soluble guanylate cyclase activators MERCK SHARP & DOHME CORP. (US) 2017-11-21 — — US disclosed
US-9822130-B2 Triazolo-pyrazinyl derivatives useful as soluble guanylate cyclase activators MERCK SHARP & DOHME CORP. (US) 2017-11-21 — — US disclosed
EP-3221319-A1 TRIAZOLO-PYRAZINYL DERIVATIVES USEFUL AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS Merck Sharp & Dohme Corp. (US) 2017-09-27 — — EP disclosed
US-20170073355-A2 TRIAZOLO-PYRAZINYL DERIVATIVES USEFUL AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. (US) 2017-03-16 — — US disclosed
US-20170073355-A2 TRIAZOLO-PYRAZINYL DERIVATIVES USEFUL AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. (US) 2017-03-16 — — US disclosed
US-20160145272-A1 TRIAZOLO-PYRAZINYL DERIVATIVES USEFUL AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. (US) 2016-05-26 — — US disclosed
US-20160145272-A1 TRIAZOLO-PYRAZINYL DERIVATIVES USEFUL AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. (US) 2016-05-26 — — US disclosed
WO-2016081668-A1 TRIAZOLO-PYRAZINYL DERIVATIVES USEFUL AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. (US) 2016-05-26 — — WO disclosed
WO-2016081668-A1 TRIAZOLO-PYRAZINYL DERIVATIVES USEFUL AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. (US) 2016-05-26 — — 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 (4 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-20170073355-A2 TRIAZOLO-PYRAZINYL DERIVATIVES USEFUL AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS PDE3A, PDE2A, PDE3B POLB 2742/4885GAA 210/4885MEN1 2292/4885
US-20160145272-A1 TRIAZOLO-PYRAZINYL DERIVATIVES USEFUL AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS PDE3A, PDE2A, PDE3B POLB 2742/4885GAA 210/4885MEN1 2292/4885
US-20190282579-A1 METHODS FOR USING TRIAZOLO-PYRAZINYL SOLUBLE GUANYLATE CYCLASE ACTIVATORS IN FIBROTIC DISORDERS GUCY1B1, GUCY1A1, GUCY1A2 POLB 1814/4885GAA 1529/4885MEN1 2799/4885
US-10925876-B2 Methods for using triazolo-pyrazinyl soluble guanylate cyclase activators in fibrotic disorders GUCY1B1, GUCY1A1, GUCY1A2 POLB 1814/4885GAA 1529/4885MEN1 2799/4885

“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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