SCHEMBL9978283

SCHEMBL9978283

COC(=O)C(C)(c1cnccn1)C(C#N)C#N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.38
▸ PLCG1 P19174 1/20 0.37
▸ CYP2C19 P33261 1/20 0.36
▸ ALOX15 P16050 1/20 0.34
▸ LONP1 P36776 2/20 0.33
▸ CTSL P07711 1/20 0.33
▸ RAB9A P51151 4/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ MAPT P10636 2/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ ATM Q13315 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ NFKB2 Q00653 1/20 0.33
▸ RELA Q04206 1/20 0.33
▸ PSMB5 P28074 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HKDC1 Q2TB90 1/20 0.32
▸ TDP1 Q9NUW8 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
SCHEMBL12066413 0.84 KDM4E (0.37) KDM4EALOX15CTSLRAB9ASMN1; SMN2
SCHEMBL9978276 0.81 PLCG1 (0.46) KDM4EPLCG1ALOX15RAB9ASMN1; SMN2
SCHEMBL18982673 0.78 CYP2C19 (0.40) PLCG1CYP2C19MEN1KMT2A
SCHEMBL9986955 0.74 KDM4E (0.44) KDM4ECYP2C19RAB9ASMN1; SMN2MAPT
SCHEMBL28519041 0.73 KDM4E (0.43) KDM4ECYP2C19RAB9ASMN1; SMN2MAPT
SCHEMBL12065582 0.71 PLCG1 (0.32) PLCG1
SCHEMBL9980507 0.71 PLCG1 (0.34) PLCG1CYP2C19
SCHEMBL16797553 0.70 BRAF (0.36) PLCG1
SCHEMBL16797695 0.70 AR (0.42) KDM4EPLCG1CYP2C19ALOX15RAB9A
SCHEMBL18982724 0.69 KDM4E (0.39) KDM4EPLCG1SMN1; SMN2MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9365574-B2 Soluble guanylate cyclase activators MERCK SHARP & DOHME CORP. (US) 2016-06-14 — — US disclosed
US-9365574-B2 Soluble guanylate cyclase activators MERCK SHARP & DOHME CORP. (US) 2016-06-14 — — US disclosed
EP-2575473-B1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME (US) 2016-01-20 — — EP disclosed
CN-103096718-A Soluble guanylate cyclase activators MERCK SHARP & DOHME 2013-05-08 — — CN disclosed
EP-2575473-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS Merck Sharp & Dohme Corp. (US) 2013-04-10 — — EP disclosed
US-20130072492-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME LLC 2013-03-21 — — US disclosed
WO-2011149921-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. (US) 2011-12-01 — — 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-20130072492-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS GUCY1A2, GUCY1A1, PDE2A KDM4E 3872/4885PLCG1 1225/4885CYP2C19 856/4885

“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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