SCHEMBL6849150

SCHEMBL6849150

CC(C)Cn1c(CN2C=CC=NC2)nc2c(N)nc(N)nc21

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA2B P29275 1/20 0.34
ADORA1 P30542 1/20 0.34
CDK1 P06493 2/20 0.33
CCNB1 P14635 2/20 0.33
CCNE1 P24864 2/20 0.33
CDK2 P24941 2/20 0.33
TLR7 Q9NYK1 1/20 0.31
SLC29A1 Q99808 1/20 0.31

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
SCHEMBL6849155 0.76 ADORA3 (0.34) ADORA3ADORA2AADORA2BADORA1CDK1
SCHEMBL3441222 0.69 ALDH1A1 (0.46) ADORA3ADORA2AADORA2BADORA1CDK1
SCHEMBL5401433 0.67 TLR7 (0.40) ADORA3ADORA2AADORA2BADORA1CDK1
SCHEMBL5396347 0.65 TLR7 (0.40) ADORA3ADORA2AADORA2BADORA1TLR7
SCHEMBL5438145 0.64 TLR7 (0.44) ADORA2ATLR7
SCHEMBL5398282 0.64 ADORA2A (0.43) ADORA3ADORA2AADORA2BADORA1CDK1
SCHEMBL5410118 0.63 TLR7 (0.45) ADORA3ADORA2AADORA2BADORA1CDK1
SCHEMBL3441040 0.60 TLR7 (0.39) ADORA2AADORA2BADORA1CDK1CCNB1
SCHEMBL5392972 0.60 PIK3CA (0.35) ADORA3ADORA2AADORA2BADORA1CDK1
SCHEMBL5391550 0.59 CDK1 (0.47) ADORA3ADORA2AADORA2BADORA1CDK1

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-6770651-B2 THERAPY FOR ASTHMA, DIARRHEA PALLE VENKATA (US) 2004-08-03 US disclosed
US-20030064999-A1 A2B adenosine receptor antagonists PALLE VENKATA (US) 2003-04-03 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-20030064999-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 ADORA3 4/4885ADORA2A 2/4885ADORA2B 1/4885

“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.