SCHEMBL8023256

SCHEMBL8023256

CC(C)c1nc2ccccc2nc1-c1nccs1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 9/20 0.55
ADORA1 P30542 8/20 0.55
ADORA3 P0DMS8 4/20 0.55
ADORA2B P29275 4/20 0.55
RAB9A P51151 1/20 0.50
PDPK1 O15530 1/20 0.43
TGFBR1 P36897 1/20 0.41
SYK P43405 1/20 0.37
ECE1 P42892 1/20 0.36
CYP2A6 P11509 1/20 0.36
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
PRNP P04156 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL13788340 0.79 RAB9A (0.50) ADORA2AADORA1ADORA3ADORA2BRAB9A
SCHEMBL13594796 0.78 ADORA2A (0.45) ADORA2AADORA1ADORA3ADORA2BRAB9A
SCHEMBL13595039 0.75 RAB9A (0.46) ADORA2AADORA1ADORA3ADORA2BRAB9A
SCHEMBL8006456 0.74 RPS6KB2 (0.53) ADORA2ARAB9A
SCHEMBL24926667 0.73 ADORA2A (0.47) ADORA2AADORA1ADORA3ADORA2BPDPK1
SCHEMBL12676689 0.73 ADORA2A (0.49) ADORA2AADORA1ADORA3ADORA2BRAB9A
SCHEMBL13787413 0.72 KDM4E (0.54) RAB9ATGFBR1POLB
SCHEMBL12669829 0.72 ADORA2A (0.45) ADORA2AADORA1ADORA3ADORA2BRAB9A
SCHEMBL13150847 0.71 MAPT (0.53) RAB9APOLB
SCHEMBL1754983 0.71 ADORA2A (1.00) ADORA2AADORA1ADORA3ADORA2BRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8962551-B2 Quinoxalinyl derivatives ENANTA PHARMACEUTICALS, INC. (US) 2015-02-24 US disclosed
US-20090180981-A1 QUINOXALINYL DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2009-07-16 US disclosed
US-20090180981-A1 QUINOXALINYL DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2009-07-16 US disclosed
WO-2009073719-A1 QUINOXALINYL DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2009-06-11 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-20090180981-A1 QUINOXALINYL DERIVATIVES SQOR, ATG4A, NQO1 ADORA2A 2627/4885ADORA1 3077/4885ADORA3 2847/4885

“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.