SCHEMBL7229760

SCHEMBL7229760

CCn1nnc([C@H]2O[C@@H](n3cnc4c(NCc5cccc(I)c5)nc(N[C@H]5CC[C@H](N)CC5)nc43)[C@H](O)[C@@H]2O)n1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 17/20 0.70
ADORA2A P29274 16/20 0.70
ADORA1 P30542 15/20 0.70
ADORA2B P29275 15/20 0.70
CCNB2 O95067 1/20 0.64
CCNE2 O96020 1/20 0.64
CDK1 P06493 1/20 0.64
CDK4 P11802 1/20 0.64
CCNB1 P14635 1/20 0.64
CCND1 P24385 1/20 0.64
CCNE1 P24864 1/20 0.64
CDK2 P24941 1/20 0.64
CCNB3 Q8WWL7 1/20 0.64

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
SCHEMBL7229755 1.00 ADORA3 (0.70) ADORA3ADORA2AADORA1ADORA2BCCNB2
SCHEMBL7232100 0.92 CDK1 (0.65) ADORA3ADORA2AADORA1ADORA2BCCNB2
SCHEMBL7232107 0.92 CDK1 (0.65) ADORA3ADORA2AADORA1ADORA2BCCNB2
SCHEMBL8522268 0.92 CDK1 (0.65) ADORA3ADORA2AADORA1ADORA2BCCNB2
SCHEMBL7229422 0.90 ADORA3 (0.69) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL7229419 0.90 ADORA3 (0.69) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL5088063 0.90 ADORA3 (0.69) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL5089193 0.88 ADORA3 (0.66) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL7224665 0.85 ADORA3 (0.74) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL7224668 0.85 ADORA3 (0.74) ADORA3ADORA2AADORA1ADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0948509-B1 2-(PURIN-9-YL)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LTD (GB) 2002-10-16 EP claimed
US-6426337-B1 ANTIINFLAMMATORY AGENTS SMITHKLINE BEECHAM CORPORATION 2002-07-30 US claimed
US-6528494-B2 Antiinflammatory agents COX BRIAN (GB) 2003-03-04 US disclosed
EP-0948509-B1 2-(PURIN-9-YL)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LTD (GB) 2002-10-16 EP disclosed
US-6426337-B1 ANTIINFLAMMATORY AGENTS SMITHKLINE BEECHAM CORPORATION 2002-07-30 US disclosed
US-20020086850-A1 2-(purin-9-yl)-tetrahydrofuran-3,4-diol derivatives COX BRIAN (GB) 2002-07-04 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-20020086850-A1 2-(purin-9-yl)-tetrahydrofuran-3,4-diol derivatives PURB, P2RX3, P2RY2 ADORA3 182/4885ADORA2A 202/4885ADORA1 135/4885

“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.