SCHEMBL13510669

SCHEMBL13510669

CCn1nc(-c2ccccc2)c(-c2nccs2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 1/20 0.54
▸ ADORA1 P30542 5/20 0.46
▸ ADORA3 P0DMS8 3/20 0.46
▸ ADORA2A P29274 3/20 0.46
▸ CYP2A6 P11509 1/20 0.45
▸ ADORA2B P29275 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ ADRB2 P07550 1/20 0.39
▸ LOXL2 Q9Y4K0 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ PTGDR2 Q9Y5Y4 1/20 0.38
▸ ESR1 P03372 1/20 0.37
▸ MAT2A P31153 1/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ RAB9A P51151 2/20 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
SCHEMBL8214626 0.84 PDPK1 (0.58) PDPK1ADORA1ADORA3ADORA2ACYP2A6
SCHEMBL13509018 0.84 PDPK1 (0.53) PDPK1ADORA1ADORA3ADORA2ACYP2A6
SCHEMBL10072211 0.83 GABRA1 (0.43) ADORA1ADORA3ADORA2AADORA2BADRB2
SCHEMBL13243234 0.80 KMT2A (0.47) ADORA1ADORA3HPGDMEN1KMT2A
SCHEMBL13510675 0.75 ADORA1 (0.45) ADORA1ADORA3ADORA2AADORA2BHPGD
SCHEMBL14271033 0.73 ADRB2 (0.43) PDPK1ADORA1ADORA3ADORA2AADORA2B
SCHEMBL17280145 0.73 CASP1 (0.42) ADORA1ADORA3HPGDMEN1KMT2A
SCHEMBL13510674 0.73 CYP2A6 (0.50) ADORA1ADORA3ADORA2ACYP2A6MEN1
2-Phenylthiazole SCHEMBL70646 0.72 PDPK1 (1.00) PDPK1CYP2A6KDRADRB2LOXL2
SCHEMBL8220204 0.71 PDPK1 (0.61) PDPK1ADORA1ADORA2ACYP2A6KDR

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 PDPK1 2527/4885ADORA1 3564/4885ADORA3 3016/4885

“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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