SCHEMBL8214626

SCHEMBL8214626

Cn1nc(-c2ccccc2)c(-c2nccs2)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 1/20 0.58
▸ CYP2A6 P11509 1/20 0.44
▸ KDR P35968 1/20 0.42
▸ ADORA1 P30542 6/20 0.39
▸ ADORA2A P29274 4/20 0.39
▸ ADORA3 P0DMS8 3/20 0.39
▸ MAT2A P31153 1/20 0.38
▸ RAB9A P51151 2/20 0.37
▸ ADRB2 P07550 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ ECE1 P42892 1/20 0.37
▸ LOXL2 Q9Y4K0 1/20 0.37
▸ KDM1A O60341 1/20 0.36
▸ PTGDR2 Q9Y5Y4 1/20 0.36

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
SCHEMBL8213534 0.84 ESR1 (0.40) PDPK1CYP2A6ADORA1ADORA2AADORA3
SCHEMBL13510669 0.84 PDPK1 (0.54) PDPK1CYP2A6KDRADORA1ADORA2A
SCHEMBL13509018 0.83 PDPK1 (0.53) PDPK1CYP2A6KDRADORA1ADORA2A
SCHEMBL8205594 0.82 GABRA1 (0.47) RAB9AMEN1ALDH1A1LMNAMAPT
SCHEMBL8205966 0.78 KMT2A (0.48) ADORA1RAB9AMEN1ALDH1A1MAPT
2-Phenylthiazole SCHEMBL70646 0.74 PDPK1 (1.00) PDPK1CYP2A6KDRRAB9AADRB2
SCHEMBL8220204 0.73 PDPK1 (0.61) PDPK1CYP2A6KDRADORA1ADORA2A
SCHEMBL8208163 0.73 ALDH1A1 (0.46) CYP2A6ADORA1ADORA2ARAB9AMEN1
2-Phenylthiazole SCHEMBL10667585 0.73 PDPK1 (0.95) PDPK1CYP2A6KDRRAB9AADRB2
2-Phenylthiazole SCHEMBL10519953 0.73 PDPK1 (0.95) PDPK1CYP2A6KDRRAB9AADRB2

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 3 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
WO-2008021960-A2 TRIAZOLYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2008-02-21 — — 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-20090047248-A1 TRIAZOLYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS SPINT2, PRSS1, CTSC PDPK1 2527/4885CYP2A6 308/4885KDR 4580/4885

“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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