SCHEMBL10579248

SCHEMBL10579248

CC(C)CCn1c(=O)c2[nH]cnc2n(CC(C)C)c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 11/20 1.00
ADORA2A P29274 11/20 1.00
PDE2A O00408 4/20 1.00
PDE1A P54750 2/20 1.00
PDE1B Q01064 2/20 1.00
PDE1C Q14123 2/20 1.00
PDE4A P27815 10/20 0.73
PDE4B Q07343 10/20 0.73
PDE4C Q08493 10/20 0.73
PDE4D Q08499 10/20 0.73
CFTR P13569 2/20 0.73
PDE5A O76074 1/20 0.73
CYP1A2 P05177 1/20 0.73
CYP3A4 P08684 1/20 0.73
TSHR P16473 1/20 0.73
MAPK1 P28482 1/20 0.73
ADORA1 P30542 1/20 0.73
SCN1A P35498 1/20 0.73
PDE6C P51160 1/20 0.73
PDE3B Q13370 1/20 0.73

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
SCHEMBL9430122 0.92 ADORA2B (0.85) ADORA2BADORA2APDE2APDE1APDE1B
SCHEMBL4623650 0.88 ADORA2B (0.80) ADORA2BADORA2APDE2APDE1APDE1B
SCHEMBL7367986 0.86 PDE4A (0.77) ADORA2BADORA2APDE2APDE1APDE1B
SCHEMBL28468033 0.86 CFTR (0.77) ADORA2BADORA2APDE2APDE1APDE1B
SCHEMBL5405285 0.86 ADORA2A (0.86) ADORA2BADORA2APDE2APDE1APDE1B
SCHEMBL9430493 0.86 ADORA2A (0.76) ADORA2BADORA2APDE2APDE1APDE1B
Isobutylmethylxanthine SCHEMBL50315 0.85 PDE4A (1.00) ADORA2BADORA2APDE2APDE1APDE1B
Isobutylmethylxanthine SCHEMBL28814716 0.85 PDE4A (1.00) ADORA2BADORA2APDE2APDE1APDE1B
Isobutylmethylxanthine SCHEMBL7637581 0.82 PDE4A (0.94) ADORA2BADORA2APDE2APDE1APDE1B
SCHEMBL239725 0.82 CFTR (1.00) ADORA2BADORA2APDE2APDE1APDE1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210393857-A1 SMALL MOLECULE DRUGS AND METHODS TO ACCELERATE OSSEOINTEGRATION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-12-23 US claimed
EP-3876871-A1 SMALL MOLECULE DRUGS AND METHODS TO ACCELERATE OSSEOINTEGRATION The Regents of the University of California (US) 2021-09-15 EP claimed
US-4883801-A Xanthine derivative pest control agents THE GENERAL HOSPITAL CORPORATION (US) 1989-11-28 US claimed
EP-0193599-A1 XANTHINE DERIVATIVE PEST CONTROL AGENTS THE GENERAL HOSPITAL CORPORATION (US) 1986-09-10 EP claimed
WO-1986001724-A1 XANTHINE DERIVATIVE PEST CONTROL AGENTS THE GENERAL HOSPITAL CORPORATION (US) 1986-03-27 WO claimed
US-20210393857-A1 SMALL MOLECULE DRUGS AND METHODS TO ACCELERATE OSSEOINTEGRATION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-12-23 US disclosed
US-20210393857-A1 SMALL MOLECULE DRUGS AND METHODS TO ACCELERATE OSSEOINTEGRATION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-12-23 US disclosed
EP-3876871-A1 SMALL MOLECULE DRUGS AND METHODS TO ACCELERATE OSSEOINTEGRATION The Regents of the University of California (US) 2021-09-15 EP disclosed
US-4883801-A Xanthine derivative pest control agents THE GENERAL HOSPITAL CORPORATION (US) 1989-11-28 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-20210393857-A1 SMALL MOLECULE DRUGS AND METHODS TO ACCELERATE OSSEOINTEGRATION PER2, NCOR2, NR4A2 ADORA2B 672/4885ADORA2A 254/4885PDE2A 301/4885

“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.