SCHEMBL17765122

SCHEMBL17765122

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNJ11 Q14654 3/20 0.34
▸ CNR1 P21554 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ EGLN1 Q9GZT9 1/20 0.33
▸ EGLN3 Q9H6Z9 1/20 0.33
▸ SLC22A12 Q96S37 1/20 0.32
▸ PPARG P37231 1/20 0.32
▸ CTSS P25774 1/20 0.32
▸ CTSK P43235 1/20 0.32
▸ LMNA P02545 4/20 0.32
▸ SMN1; SMN2 Q16637 4/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ HPGD P15428 2/20 0.32
▸ ALPG P10696 2/20 0.32
▸ USP2 O75604 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ GABRA5 P31644 1/20 0.32
▸ AR P10275 1/20 0.32
▸ EPHX2 P34913 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
SCHEMBL18982796 0.83 HSD11B1 (0.38) CNR1CNR2SLC22A12ALDH1A1
SCHEMBL16797513 0.82 SMN1; SMN2 (0.36) SLC22A12SMN1; SMN2ALDH1A1HPGDHTT
SCHEMBL18730405 0.81 NPC1 (0.39) SLC22A12LMNASMN1; SMN2ALDH1A1LGMN
SCHEMBL17765162 0.79 DGAT1 (0.34) KCNJ11LGMN
SCHEMBL18730380 0.79 KDM4E (0.39) EGLN1EGLN3SMN1; SMN2HTTTDP1
SCHEMBL17765339 0.77 CTSL (0.40) CTSSCTSKLMNASMN1; SMN2ALDH1A1
SCHEMBL12066413 0.77 KDM4E (0.37) SLC22A12LMNASMN1; SMN2CTSL
SCHEMBL1759981 0.75 DGAT1 (0.41) CNR1CNR2EGLN1EGLN3SLC22A12
SCHEMBL17765237 0.73 SLC22A12 (0.35) CNR1CNR2EGLN1EGLN3SLC22A12
SCHEMBL30628308 0.70 TRPV4 (0.35) —

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
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-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-10245264-B2 Substituted imidazo[1,2-a]pyrazines as soluble guanylate cyclase activators MERCK SHARP & DOHME CORP. (US) 2019-04-02 — — US disclosed
US-20180193343-A1 IMIDAZO-PYRAZINYL DERIVATIVES USEFUL AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. (US) 2018-07-12 — — US disclosed
US-9822130-B2 Triazolo-pyrazinyl derivatives useful as soluble guanylate cyclase activators MERCK SHARP & DOHME CORP. (US) 2017-11-21 — — US disclosed
US-9796733-B2 Imidazo-pyrazine derivatives useful as soluble guanylate cyclase activators MERCK SHARP & DOHME CORP. (US) 2017-10-24 — — US disclosed
US-20170107236-A1 IMIDAZO-PYRAZINE DERIVATIVES USEFUL AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. (US) 2017-04-20 — — 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-20170107236-A1 IMIDAZO-PYRAZINE DERIVATIVES USEFUL AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS PDE2A, PDE3A, PDE5A KCNJ11 379/4885CNR1 1371/4885CNR2 825/4885
US-20170073355-A2 TRIAZOLO-PYRAZINYL DERIVATIVES USEFUL AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS PDE3A, PDE2A, PDE3B KCNJ11 617/4885CNR1 1627/4885CNR2 1731/4885
US-10245264-B2 Substituted imidazo[1,2-a]pyrazines as soluble guanylate cyclase activators GUCY1A1, GUCY1A2, PDE2A KCNJ11 443/4885CNR1 744/4885CNR2 931/4885
US-20180193343-A1 IMIDAZO-PYRAZINYL DERIVATIVES USEFUL AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS PDE3A, PRKG1, PDE2A KCNJ11 687/4885CNR1 1122/4885CNR2 1314/4885
US-20160145272-A1 TRIAZOLO-PYRAZINYL DERIVATIVES USEFUL AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS PDE3A, PDE2A, PDE3B KCNJ11 617/4885CNR1 1627/4885CNR2 1731/4885
US-20190282579-A1 METHODS FOR USING TRIAZOLO-PYRAZINYL SOLUBLE GUANYLATE CYCLASE ACTIVATORS IN FIBROTIC DISORDERS GUCY1B1, GUCY1A1, GUCY1A2 KCNJ11 705/4885CNR1 2220/4885CNR2 2278/4885
US-10925876-B2 Methods for using triazolo-pyrazinyl soluble guanylate cyclase activators in fibrotic disorders GUCY1B1, GUCY1A1, GUCY1A2 KCNJ11 705/4885CNR1 2220/4885CNR2 2278/4885

“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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