SCHEMBL18730405

SCHEMBL18730405

CCc1ccc(C(C)(C(=O)O)C(C#N)C#N)nc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ CCR9 P51686 3/20 0.36
▸ PPARD Q03181 1/20 0.34
▸ KDM4E B2RXH2 3/20 0.33
▸ L3MBTL1 Q9Y468 3/20 0.33
▸ SLC22A12 Q96S37 3/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ KMT2A Q03164 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ THPO P40225 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
SCHEMBL17318002 0.85 SMN1; SMN2 (0.36) NPC1RAB9ASMN1; SMN2CCR9PPARD
SCHEMBL18982796 0.81 HSD11B1 (0.38) CCR9KDM4EL3MBTL1SLC22A12ALDH1A1
SCHEMBL17765122 0.81 KCNJ11 (0.34) SMN1; SMN2SLC22A12ALDH1A1LMNATDP1
SCHEMBL18730380 0.76 KDM4E (0.39) SMN1; SMN2KDM4EL3MBTL1KMT2AHIF1A
SCHEMBL17765162 0.74 DGAT1 (0.34) PPARDLGMN
SCHEMBL12066413 0.74 KDM4E (0.37) NPC1RAB9ASMN1; SMN2KDM4ESLC22A12
SCHEMBL18982196 0.73 CYP4F2 (0.43) SMN1; SMN2KMT2AMEN1
SCHEMBL21246448 0.71 CHRNA7 (0.43) NPC1RAB9ASMN1; SMN2CCR9KDM4E
SCHEMBL16797513 0.69 SMN1; SMN2 (0.36) NPC1RAB9ASMN1; SMN2KDM4ESLC22A12
SCHEMBL19031895 0.69 CNR2 (0.38) SMN1; SMN2CCR9KDM4EL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20170107236-A1 IMIDAZO-PYRAZINE DERIVATIVES USEFUL AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS PDE2A, PDE3A, PDE5A NPC1 1570/4885RAB9A 934/4885SMN1; SMN2 1156/4885

“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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