SCHEMBL12680085

SCHEMBL12680085

CC(C)c1ccc(-c2nc(NC(=O)[C@H](C)N)cs2)cn1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ XIAP P98170 11/20 0.41
▸ BIRC2 Q13490 3/20 0.41
▸ CDK5 Q00535 3/20 0.39
▸ CDK5R1 Q15078 3/20 0.39
▸ CCNA2 P20248 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ CCNA1 P78396 1/20 0.39
▸ MEN1 O00255 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ TAAR1 Q96RJ0 1/20 0.37
▸ ATAD2 Q6PL18 1/20 0.37
▸ GPR142 Q7Z601 1/20 0.37
▸ TRPA1 O75762 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
SCHEMBL12680112 0.92 XIAP (0.36) XIAPBIRC2CDK5CDK5R1CCNA2
SCHEMBL12680116 0.91 CDK5 (0.37) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL12680121 0.91 CDK5 (0.37) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL12680119 0.89 CDK5 (0.39) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL12680126 0.89 SCN9A (0.38) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL12680114 0.89 HDAC2 (0.38) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL12680084 0.88 AAK1 (0.46) —
SCHEMBL12680123 0.87 GPR142 (0.38) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL12681452 0.87 GPR142 (0.38) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL12680130 0.87 TRPA1 (0.37) CDK5CDK5R1CCNA2CDK2CCNA1

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 11 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-8273720-B2 6,11-bicyclolides: bridged biaryl macrolide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2012-09-25 — — US disclosed
US-8273720-B2 6,11-bicyclolides: bridged biaryl macrolide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2012-09-25 — — US disclosed
US-20090270457-A1 6,11-BICYCLOLIDES: BRIDGED BIARYL MACROLIDE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2009-10-29 — — US disclosed
US-20090270457-A1 6,11-BICYCLOLIDES: BRIDGED BIARYL MACROLIDE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2009-10-29 — — 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
US-20090118506-A1 6,11-BRIDGED BIARYL MACROLIDES ENANTA PHARMACEUTICALS, INC. 2009-05-07 — — US disclosed
US-20090075915-A1 6,11-BICYCLOLIDES: BRIDGED BIARYL MACROLIDE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2009-03-19 — — 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 (6 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-20090075915-A1 6,11-BICYCLOLIDES: BRIDGED BIARYL MACROLIDE DERIVATIVES CYP2B6, ABCB11, CYP2D6 XIAP 2036/4885BIRC2 482/4885CDK5 2285/4885
US-20090270457-A1 6,11-BICYCLOLIDES: BRIDGED BIARYL MACROLIDE DERIVATIVES CYP2B6, ABCB11, CYP2D6 XIAP 2036/4885BIRC2 482/4885CDK5 2285/4885
US-20130165641-A1 6,11-BRIDGED BIARYL MACROLIDES CYP2B6, CYP2D6, ABCB11 XIAP 1185/4885BIRC2 707/4885CDK5 3529/4885
US-20140187780-A1 6,11-BRIDGED BIARYL MACROLIDES CYP2B6, CYP2D6, ABCB11 XIAP 1185/4885BIRC2 707/4885CDK5 3529/4885
US-20090118506-A1 6,11-BRIDGED BIARYL MACROLIDES CYP2B6, CYP2D6, ABCB11 XIAP 1500/4885BIRC2 529/4885CDK5 2932/4885
US-20090264380-A1 6,11-BRIDGED BIARYL MACROLIDES CYP2B6, CYP2D6, ABCB11 XIAP 1185/4885BIRC2 707/4885CDK5 3529/4885

“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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