Sugi Predict

Sugi Predict / Compounds / SCHEMBL6869474

SCHEMBL6869474

SCHEMBL6869474

CC(C)Cn1c(=O)n(C)c(=O)c2[nH]c(Br)nc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE1A P54750 4/20 0.72
▸ PDE1B Q01064 4/20 0.72
▸ PDE1C Q14123 4/20 0.72
▸ PDE2A O00408 3/20 0.72
▸ PDE5A O76074 13/20 0.67
▸ CYP1A2 P05177 2/20 0.64
▸ CYP3A4 P08684 2/20 0.64
▸ TSHR P16473 2/20 0.64
▸ MEN1 O00255 1/20 0.64
▸ CYP2C19 P33261 1/20 0.64
▸ BLM P54132 1/20 0.64
▸ KMT2A Q03164 1/20 0.64
▸ PDE3B Q13370 2/20 0.57
▸ PDE3A Q14432 2/20 0.57
▸ CFTR P13569 1/20 0.57
▸ PDE4A P27815 1/20 0.57
▸ MAPK1 P28482 1/20 0.57
▸ ADORA1 P30542 1/20 0.57
▸ SCN1A P35498 1/20 0.57
▸ PDE6C P51160 1/20 0.57

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
SCHEMBL10960174 0.86 PDE1A (0.69) PDE1APDE1BPDE1CPDE2APDE5A
SCHEMBL897036 0.84 PDE1A (1.00) PDE1APDE1BPDE1CPDE2APDE5A
SCHEMBL2917588 0.82 PDE5A (0.74) PDE1APDE1BPDE1CPDE2APDE5A
SCHEMBL10960178 0.81 PDE5A (0.70) PDE1APDE1BPDE1CPDE2APDE5A
SCHEMBL14889319 0.81 PDE5A (1.00) PDE1APDE1BPDE1CPDE2APDE5A
SCHEMBL4622439 0.81 PDE5A (0.73) PDE1APDE1BPDE1CPDE2APDE5A
SCHEMBL678868 0.81 PDE1A (0.69) PDE1APDE1BPDE1CPDE2APDE5A
SCHEMBL9121409 0.81 PDE1A (1.00) PDE1APDE1BPDE1CPDE2APDE5A
SCHEMBL3183622 0.80 PDE4A (0.53) PDE1APDE1BPDE1CPDE2APDE4A
SCHEMBL782824 0.79 PDE5A (1.00) PDE1APDE1BPDE1CPDE2APDE5A

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
US-6815446-B1 ADMINISTERING 8-AMINO-XANTHINE DERIVATIVE AS ANTIASTHMATIC OR ANTIDIARRHEA AGENT VANDERBILT UNIVERSITY 2004-11-09 — — US disclosed
US-6806270-B2 XANTHINE DERIVATIVES, SUCH AS 3-ISOBUTYL-8-PYRROLIDINYLXANTHINE; TREATING ASTHMA, DIARRHEA, ETC. VANDERBILT UNIVERSITY 2004-10-19 — — US disclosed
US-20030087904-A1 Selective antagonists of A2B adenosine receptors VANDERBILT UNIVERSITY 2003-05-08 — — US disclosed
EP-1208100-B1 SELECTIVE ANTAGONISTS OF A2B ADENOSINE RECEPTORS UNIV VANDERBILT (US) 2003-04-02 — — EP disclosed
EP-1208100-A1 SELECTIVE ANTAGONISTS OF A2B ADENOSINE RECEPTORS VANDERBILT UNIVERSITY (US) 2002-05-29 — — EP disclosed
WO-2001016134-A1 SELECTIVE ANTAGONISTS OF A2B ADENOSINE RECEPTORS VANDERBILT UNIVERSITY (US) 2001-03-08 — — 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-20030087904-A1 Selective antagonists of A2B adenosine receptors ADORA2B, ADORA1, ADORA2A PDE1A 424/4885PDE1B 257/4885PDE1C 801/4885

“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.