SCHEMBL18982673

SCHEMBL18982673

COC(=O)C(C)(c1ccc(C#N)cn1)C(C#N)C#N

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 1/20 0.40
▸ HSD11B1 P28845 3/20 0.39
▸ PLCG1 P19174 1/20 0.39
▸ CCR6 P51684 3/20 0.36
▸ EGLN1 Q9GZT9 1/20 0.35
▸ PANK3 Q9H999 1/20 0.35
▸ NR3C1 P04150 1/20 0.35
▸ APLNR P35414 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ PRSS1 P07477 1/20 0.34
▸ CTSG P08311 1/20 0.34
▸ CTRB1 P17538 1/20 0.34
▸ CMA1 P23946 1/20 0.34
▸ CCR9 P51686 1/20 0.34
▸ CACNA1H O95180 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
SCHEMBL19031895 0.86 CNR2 (0.38) HSD11B1PANK3MEN1KMT2ACCR9
SCHEMBL18982796 0.85 HSD11B1 (0.38) HSD11B1CCR6PANK3CCR9
SCHEMBL9978276 0.78 PLCG1 (0.46) PLCG1MEN1KMT2AHTT
SCHEMBL9978283 0.78 KDM4E (0.38) CYP2C19PLCG1MEN1KMT2A
SCHEMBL3474160 0.71 HSD11B1 (0.52) HSD11B1PLCG1EGLN1PANK3NR3C1
SCHEMBL16797513 0.71 SMN1; SMN2 (0.36) MEN1KMT2AHTT
SCHEMBL17318002 0.71 SMN1; SMN2 (0.36) MEN1KMT2ACCR9
SCHEMBL17765327 0.70 GAA (0.36) MEN1KMT2A
SCHEMBL9978258 0.70 KCNN4 (0.51) PLCG1MEN1KMT2A
SCHEMBL18982936 0.70 HSD11B1 (0.41) HSD11B1CCR6PANK3MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108738320-B cGMP modulators for the treatment of cardiovascular diseases 默沙东公司 2021-11-19 — — CN disclosed
EP-3394067-B1 4-AMINO-2-(1H-PYRAZOLO[3,4-B]PYRIDIN-3-YL)-6-OXO-6,7-DIHYDRO-5H-PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES AND THE RESPECTIVE (1H-INDAZOL-3-YL) DERIVATIVES AS CGMP MODULATORS FOR TREATING CARDIOVASCULAR DISEASES MERCK SHARP & DOHME (US) 2020-04-01 — — EP disclosed
EP-3394067-B1 4-AMINO-2-(1H-PYRAZOLO[3,4-B]PYRIDIN-3-YL)-6-OXO-6,7-DIHYDRO-5H-PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES AND THE RESPECTIVE (1H-INDAZOL-3-YL) DERIVATIVES AS CGMP MODULATORS FOR TREATING CARDIOVASCULAR DISEASES MERCK SHARP & DOHME (US) 2020-04-01 — — EP disclosed
US-10428076-B2 Soluble guanylate cyclase stimulators MERCK SHARP & DOHME CORP. (US) 2019-10-01 — — US disclosed
US-10428076-B2 Soluble guanylate cyclase stimulators MERCK SHARP & DOHME CORP. (US) 2019-10-01 — — US disclosed
EP-3394067-A1 4-AMINO-2-(1H-PYRAZOLO[3,4-B]PYRIDIN-3-YL)-6-OXO-6,7-DIHYDRO-5H-PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES AND THE RESPECTIVE (1H-INDAZOL-3-YL) DERIVATIVES AS CGMP MODULATORS FOR TREATING CARDIOVASCULAR DISEASES Merck Sharp & Dohme Corp. (US) 2018-10-31 — — EP disclosed
US-20180305366-A1 SOLUBLE GUANYLATE CYCLASE STIMULATORS MERCK SHARP & DOHME CORP. (US) 2018-10-25 — — US disclosed
US-10030027-B2 Soluble guanylate cyclase stimulators MERCK SHARP & DOHME CORP. (US) 2018-07-24 — — US disclosed
US-10030027-B2 Soluble guanylate cyclase stimulators MERCK SHARP & DOHME CORP. (US) 2018-07-24 — — US disclosed
WO-2017112617-A1 4-AMINO-2-(1H-PYRAZOLO[3,4-B]PYRIDIN-3-YL)-6-OXO-6,7-DIHYDRO-5H-PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES AND THE RESPECTIVE (1H-INDAZOL-3-YL) DERIVATIVES AS CGMP MODULATORS FOR TREATING CARDIOVASCULAR DISEASES MERCK SHARP & DOHME CORP. (US) 2017-06-29 — — WO disclosed
WO-2017112617-A1 4-AMINO-2-(1H-PYRAZOLO[3,4-B]PYRIDIN-3-YL)-6-OXO-6,7-DIHYDRO-5H-PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES AND THE RESPECTIVE (1H-INDAZOL-3-YL) DERIVATIVES AS CGMP MODULATORS FOR TREATING CARDIOVASCULAR DISEASES MERCK SHARP & DOHME CORP. (US) 2017-06-29 — — WO disclosed
US-20170174693-A1 SOLUBLE GUANYLATE CYCLASE STIMULATORS MERCK SHARP & DOHME LLC 2017-06-22 — — US disclosed
US-20170174693-A1 SOLUBLE GUANYLATE CYCLASE STIMULATORS MERCK SHARP & DOHME LLC 2017-06-22 — — US 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-20180305366-A1 SOLUBLE GUANYLATE CYCLASE STIMULATORS GUCY1A1, GUCY1A2, PDE2A CYP2C19 1005/4885HSD11B1 1112/4885PLCG1 1352/4885
US-20170174693-A1 SOLUBLE GUANYLATE CYCLASE STIMULATORS GUCY1A1, GUCY1A2, PDE2A CYP2C19 1005/4885HSD11B1 1112/4885PLCG1 1352/4885
US-10030027-B2 Soluble guanylate cyclase stimulators GUCY1A1, GUCY1A2, PDE2A CYP2C19 1005/4885HSD11B1 1112/4885PLCG1 1352/4885
US-10428076-B2 Soluble guanylate cyclase stimulators GUCY1A1, GUCY1A2, PDE2A CYP2C19 1005/4885HSD11B1 1112/4885PLCG1 1352/4885

“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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