SCHEMBL16797570

SCHEMBL16797570

CCOC(=O)C(C)(c1nnc(C2CC2)o1)C(C#N)C#N

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ PDK2 Q15119 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ GUCY1B2 O75343 3/20 0.33
▸ GUCY1A2 P33402 3/20 0.33
▸ GUCY1A1 Q02108 3/20 0.33
▸ GUCY1B1 Q02153 3/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ HTR4 Q13639 5/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.31
▸ KCNH2 Q12809 2/20 0.31
▸ TNKS O95271 1/20 0.30
▸ PARP1 P09874 1/20 0.30
▸ PARP2 Q9UGN5 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30

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
SCHEMBL16797632 0.83 MEN1 (0.35) MEN1KMT2ALMNAHTTSMN1; SMN2
SCHEMBL16797681 0.78 SMN1; SMN2 (0.37) MEN1KMT2APDK2MAPTGUCY1B2
SCHEMBL17318012 0.70 KMT2A (0.34) MEN1KMT2AKDM4EHTTSMN1; SMN2
SCHEMBL16797702 0.68 TSHR (0.38) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL12065569 0.67 MEN1 (0.34) MEN1KMT2ALMNAHTTSMN1; SMN2
SCHEMBL20305423 0.66 CA1 (0.43) MEN1KMT2APDK2MAPTKDM4E
SCHEMBL17318016 0.66 MEN1 (0.40) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL22702433 0.65 CNR2 (0.42) MEN1KMT2AMAPTKDM4EHTT
SCHEMBL16797579 0.65 CYP2C19 (0.38) MEN1KMT2AMAPTGUCY1B2GUCY1A2
SCHEMBL14776796 0.65 MEN1 (0.33) MEN1KMT2AKDM4EHTTSMN1; 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-9611278-B2 Soluble guanylate cyclase activators MERCK SHARP & DOHME CORP. (US) 2017-04-04 — — US disclosed
US-9611278-B2 Soluble guanylate cyclase activators MERCK SHARP & DOHME CORP. (US) 2017-04-04 — — US disclosed
US-20160304536-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. (US) 2016-10-20 — — US 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
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 (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-20160304536-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS GUCY1A1, GUCY1A2, PRKG1 MEN1 1241/4885KMT2A 4673/4885PDK2 2140/4885

“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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