SCHEMBL16797513

SCHEMBL16797513

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

nearest known ligand 0.37

Predicted protein targets (top 18)

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
▸ ALDH1A1 P00352 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ FBP1 P09467 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ NMT2 O60551 1/20 0.34
▸ NMT1 P30419 1/20 0.34
▸ SLC22A12 Q96S37 1/20 0.33
▸ GABRA5 P31644 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ POLB P06746 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
SCHEMBL17765327 0.87 GAA (0.36) SMN1; SMN2MEN1KMT2AGAAKDM4E
SCHEMBL19031895 0.85 CNR2 (0.38) SMN1; SMN2MEN1KMT2AGAAALDH1A1
SCHEMBL17318002 0.85 SMN1; SMN2 (0.36) SMN1; SMN2MEN1KMT2AGAAMAPT
SCHEMBL17768392 0.82 KDM4E (0.37) SMN1; SMN2MEN1KMT2AGAAALDH1A1
SCHEMBL17765122 0.82 KCNJ11 (0.34) SMN1; SMN2ALDH1A1HPGDSLC22A12GABRA5
SCHEMBL17318012 0.81 KMT2A (0.34) SMN1; SMN2MEN1KMT2AGAAKDM4E
SCHEMBL17318022 0.81 MAPT (0.42) SMN1; SMN2MEN1KMT2AGAAALDH1A1
SCHEMBL18982196 0.81 CYP4F2 (0.43) SMN1; SMN2MEN1KMT2AGAA
SCHEMBL16797511 0.78 FBP1 (0.39) SMN1; SMN2MEN1KMT2AGAAMAPT
SCHEMBL161047 0.76 MAPT (0.42) SMN1; SMN2MEN1KMT2AGAAALDH1A1

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 52 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-3079701-B1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME (US) 2021-08-11 — — EP disclosed
EP-3079701-B1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME (US) 2021-08-11 — — 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
US-20160304536-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. (US) 2016-10-20 — — US disclosed
EP-3079701-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS Merck Sharp & Dohme Corp. (US) 2016-10-19 — — EP 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
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
WO-2015088885-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. (US) 2015-06-18 — — WO disclosed
WO-2015088885-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. (US) 2015-06-18 — — 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-20160304536-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS GUCY1A1, GUCY1A2, PRKG1 SMN1; SMN2 691/4885MEN1 1241/4885KMT2A 4673/4885
US-20160145272-A1 TRIAZOLO-PYRAZINYL DERIVATIVES USEFUL AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS PDE3A, PDE2A, PDE3B SMN1; SMN2 1602/4885MEN1 2292/4885KMT2A 4660/4885
US-10925876-B2 Methods for using triazolo-pyrazinyl soluble guanylate cyclase activators in fibrotic disorders GUCY1B1, GUCY1A1, GUCY1A2 SMN1; SMN2 1314/4885MEN1 2799/4885KMT2A 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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