SCHEMBL17318022

SCHEMBL17318022

CCOC(=O)C(C)(c1ccc(F)cc1)C(C#N)C#N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ KMT2A Q03164 5/20 0.38
▸ MEN1 O00255 4/20 0.38
▸ LMNA P02545 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ THRB P10828 1/20 0.38
▸ ALOX12 P18054 1/20 0.38
▸ CACNA1G O43497 1/20 0.38
▸ MAPK1 P28482 1/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ CNR2 P34972 1/20 0.36
▸ CASP3 P42574 1/20 0.36
▸ TRPV1 Q8NER1 1/20 0.36

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
SCHEMBL22702433 0.89 CNR2 (0.42) MAPTALDH1A1KMT2AMEN1CYP1A2
SCHEMBL18982556 0.86 CNR2 (0.44) ALDH1A1SMN1; SMN2KDM4ECNR2L3MBTL1
SCHEMBL16807989 0.86 CNR2 (0.36) KMT2AMEN1LMNACYP1A2SMN1; SMN2
SCHEMBL18982613 0.86 ALDH1A1 (0.41) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL16796000 0.86 ABCB11 (0.50) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL16795993 0.84 SMN1; SMN2 (0.40) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL19616135 0.82 CNR2 (0.44) ALDH1A1SMN1; SMN2CNR2L3MBTL1
SCHEMBL16797513 0.81 SMN1; SMN2 (0.36) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL18982146 0.80 CYP1A2 (0.42) ALDH1A1KMT2ALMNACYP1A2CYP2C9
SCHEMBL18982849 0.80 MAPT (0.40) MAPTALDH1A1LMNASMN1; SMN2CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3310782-B1 IMIDAZO-PYRAZINYL DERIVATIVES USEFUL AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME (US) 2021-12-01 — — EP disclosed
EP-3310782-B1 IMIDAZO-PYRAZINYL DERIVATIVES USEFUL AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME (US) 2021-12-01 — — EP disclosed
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
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-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
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-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
WO-2016191334-A1 IMIDAZO-PYRAZINYL DERIVATIVES USEFUL AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. (US) 2016-12-01 — — WO disclosed
WO-2016191334-A1 IMIDAZO-PYRAZINYL DERIVATIVES USEFUL AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. (US) 2016-12-01 — — WO disclosed
WO-2016191335-A1 IMIDAZO-PYRAZINYL DERIVATIVES USEFUL AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. (US) 2016-12-01 — — WO disclosed
WO-2016191335-A1 IMIDAZO-PYRAZINYL DERIVATIVES USEFUL AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. (US) 2016-12-01 — — WO 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-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 (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-20170073355-A2 TRIAZOLO-PYRAZINYL DERIVATIVES USEFUL AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS PDE3A, PDE2A, PDE3B MAPT 3915/4885ALDH1A1 1525/4885KMT2A 4660/4885
US-20160145272-A1 TRIAZOLO-PYRAZINYL DERIVATIVES USEFUL AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS PDE3A, PDE2A, PDE3B MAPT 3915/4885ALDH1A1 1525/4885KMT2A 4660/4885
US-10925876-B2 Methods for using triazolo-pyrazinyl soluble guanylate cyclase activators in fibrotic disorders GUCY1B1, GUCY1A1, GUCY1A2 MAPT 4783/4885ALDH1A1 1720/4885KMT2A 4085/4885

“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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