SCHEMBL13510735

SCHEMBL13510735

Cn1nc(-c2ccccc2)c(-c2ccc(Cc3ccccc3)cc2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CALM1 P0DP23 1/20 0.44
▸ CNR2 P34972 3/20 0.42
▸ TRPV1 Q8NER1 2/20 0.42
▸ CNR1 P21554 1/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ LTA4H P09960 2/20 0.41
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ CA14 Q9ULX7 1/20 0.40
▸ HSD11B1 P28845 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ NR1H2 P55055 1/20 0.39
▸ NR1H3 Q13133 1/20 0.39

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
SCHEMBL8205966 0.84 KMT2A (0.48) SMN1; SMN2NPC1RAB9AMAPTNPSR1
SCHEMBL13509191 0.81 CNR2 (0.46) CALM1CNR2TRPV1CNR1SMN1; SMN2
SCHEMBL8205530 0.80 FLT3 (0.45) CNR2SMN1; SMN2RAB9ALMNATDP1
SCHEMBL8214143 0.77 ALDH1A1 (0.54) SMN1; SMN2NPC1RAB9AMAPTCA1
SCHEMBL27326 0.75 CALM1 (0.71) CALM1LMNALTA4HCA12CA1
SCHEMBL8218208 0.74 KDM4E (0.61) CNR2CNR1SMN1; SMN2NPC1RAB9A
SCHEMBL8214146 0.74 NUDT14 (0.50) SMN1; SMN2NPC1RAB9ALMNAMAPT
SCHEMBL8214222 0.73 ADORA2A (0.53) SMN1; SMN2
Methane SCHEMBL9562367 0.73 CALM1 (0.67) CALM1LMNALTA4HCA12CA1
SCHEMBL11993125 0.72 MAPT (0.44) SMN1; SMN2NPC1RAB9ALMNAMAPT

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-7662779-B2 Triazolyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2010-02-16 — — US disclosed
US-20090047248-A1 TRIAZOLYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-02-19 — — 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-20090047248-A1 TRIAZOLYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS SPINT2, PRSS1, CTSC CALM1 4582/4885CNR2 3335/4885TRPV1 2651/4885

“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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