SCHEMBL13659744

SCHEMBL13659744

CC(C)c1ccc(-c2nsc(N)n2)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.41
▸ ADORA2A P29274 1/20 0.41
▸ ADORA2B P29275 1/20 0.41
▸ ADORA1 P30542 1/20 0.41
▸ NPC1 O15118 3/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ SCN4A P35499 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ PIM1 P11309 2/20 0.34
▸ PIM2 Q9P1W9 1/20 0.34
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C8 P10632 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ CHRNA7 P36544 1/20 0.32
▸ CYP19A1 P11511 1/20 0.30
▸ COPS5 Q92905 1/20 0.30

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
SCHEMBL13662742 0.79 CCR1 (0.50) ADORA3ADORA2AADORA2BADORA1NPC1
SCHEMBL13659745 0.77 ADORA3 (0.59) ADORA3ADORA2AADORA2BADORA1NPC1
SCHEMBL13659768 0.76 ADORA3 (0.39) ADORA3ADORA2AADORA2BADORA1NPC1
SCHEMBL20390109 0.76 ADORA3 (0.44) ADORA3ADORA2AADORA2BADORA1
SCHEMBL20390156 0.75 SMN1; SMN2 (0.43) ADORA3ADORA2AADORA2BADORA1NPC1
SCHEMBL13659766 0.75 ADORA3 (0.41) ADORA3ADORA2AADORA2BADORA1NPC1
SCHEMBL13602061 0.73 CCR1 (0.46) NPC1RAB9ASMN1; SMN2CHRNA7
SCHEMBL13659765 0.72 HTT (0.42) NPC1RAB9ASMN1; SMN2HPGDPIM1
SCHEMBL22583573 0.71 SCN5A (0.42) ADORA3ADORA2AADORA2BADORA1NPC1
SCHEMBL13662577 0.70 ADORA3 (0.42) ADORA3ADORA2AADORA2BADORA1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140187780-A1 6,11-BRIDGED BIARYL MACROLIDES ENANTA PHARMACEUTICALS, INC. (US) 2014-07-03 — — US disclosed
US-20130165641-A1 6,11-BRIDGED BIARYL MACROLIDES ENANTA PHARMACEUTICALS, INC. (US) 2013-06-27 — — US disclosed
US-8354383-B2 6,11-bridged biaryl macrolides ENANTA PHARMACEUTICALS, INC. (US) 2013-01-15 — — US disclosed
US-20090264380-A1 6,11-BRIDGED BIARYL MACROLIDES ENANTA PHARMACEUTICALS, INC. 2009-10-22 — — US disclosed
US-20090118506-A1 6,11-BRIDGED BIARYL MACROLIDES ENANTA PHARMACEUTICALS, INC. 2009-05-07 — — 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 (4 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-20130165641-A1 6,11-BRIDGED BIARYL MACROLIDES CYP2B6, CYP2D6, ABCB11 ADORA3 2250/4885ADORA2A 2930/4885ADORA2B 2210/4885
US-20140187780-A1 6,11-BRIDGED BIARYL MACROLIDES CYP2B6, CYP2D6, ABCB11 ADORA3 2250/4885ADORA2A 2930/4885ADORA2B 2210/4885
US-20090118506-A1 6,11-BRIDGED BIARYL MACROLIDES CYP2B6, CYP2D6, ABCB11 ADORA3 2483/4885ADORA2A 3106/4885ADORA2B 2337/4885
US-20090264380-A1 6,11-BRIDGED BIARYL MACROLIDES CYP2B6, CYP2D6, ABCB11 ADORA3 2250/4885ADORA2A 2930/4885ADORA2B 2210/4885

“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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