SCHEMBL661108

SCHEMBL661108

CCCn1c(=O)c2[nH]c(-c3ccccc3)nc2n(CCC)c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 11/20 1.00
ADORA2A P29274 6/20 1.00
KDM4E B2RXH2 2/20 1.00
ALDH1A1 P00352 2/20 1.00
CYP1A2 P05177 2/20 1.00
CYP3A4 P08684 2/20 1.00
HSD17B10 Q99714 2/20 1.00
MEN1 O00255 1/20 1.00
CYP2C9 P11712 1/20 1.00
CYP2C19 P33261 1/20 1.00
KMT2A Q03164 1/20 1.00
ADORA1 P30542 5/20 0.84
ADORA3 P0DMS8 3/20 0.84
HPGD P15428 1/20 0.78
TSHR P16473 1/20 0.78
MAPK1 P28482 1/20 0.78
THPO P40225 1/20 0.78
PMP22 Q01453 1/20 0.78

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
SCHEMBL9765879 0.92 ADORA2B (0.85) ADORA2BADORA2AKDM4EALDH1A1CYP1A2
SCHEMBL9765918 0.92 ADORA2B (0.85) ADORA2BADORA2AKDM4EALDH1A1CYP1A2
SCHEMBL14564546 0.88 ADORA2B (0.79) ADORA2BADORA2AKDM4EALDH1A1CYP1A2
SCHEMBL1321894 0.88 ADORA2B (1.00) ADORA2BADORA2AKDM4EALDH1A1CYP1A2
SCHEMBL24304504 0.87 ADORA2B (0.76) ADORA2BADORA2AKDM4EALDH1A1CYP1A2
SCHEMBL7318202 0.87 ADORA2B (1.00) ADORA2BADORA2AKDM4EALDH1A1CYP1A2
SCHEMBL1948455 0.87 ADORA2B (1.00) ADORA2BADORA2AKDM4EALDH1A1CYP1A2
SCHEMBL1065789 0.85 ADORA2B (0.73) ADORA2BADORA2AKDM4EALDH1A1CYP1A2
SCHEMBL7313540 0.85 ADORA2B (0.78) ADORA2BADORA2AKDM4EALDH1A1CYP1A2
SCHEMBL3464940 0.84 ADORA2B (1.00) ADORA2BADORA2AKDM4EALDH1A1CYP1A2

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 226 patents — showing the first 20. 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
WO-2014055932-A1 INTEGRATED NEUROMODULATION SYSTEM FOR MOOD ENHANCEMENT OF A LIVING HUMAN SUBJECT INVIVO BEVERAGES LLC (US) 2014-04-10 WO claimed
US-8609162-B2 Integrated neuromodulation system for mood enhancement of a living human subject INVIVO BEVERAGES LLC (US) 2013-12-17 US claimed
US-20130156872-A1 Integrated Neuromodulation System for Mood Enhancement of a Living Human Subject INVIVO BEVERAGES LLC (US) 2013-06-20 US claimed
US-20110262442-A1 COMPOSITIONS FOR TREATING CNS DISORDERS ADENIOS, INC. (US) 2011-10-27 US claimed
WO-2011057199-A1 COMPOSITIONS FOR TREATING CNS DISORDERS ADENIOS, INC. (US) 2011-05-12 WO claimed
US-6555545-B2 Adenosine, caffeine, and 8-styryl-1,3,7-alkyl xanthine derivatives as wound healing agents NEW YORK UNIVERSITY 2003-04-29 US claimed
EP-1272897-A2 ADENOSINE A2A RECEPTOR ANTAGONISTS FOR TREATING AND PREVENTING HEPATIC FIBROSIS, CIRRHOSIS AND FATTY LIVER NEW YORK UNIVERSITY (US) 2003-01-08 EP claimed
WO-2001058241-A9 ADENOSINE A2A RECEPTOR ANTAGONISTS FOR TREATING AND PREVENTING HEPATIC FIBROSIS, CIRRHOSIS AND FATTY LIVER UNIV NEW YORK (US) 2002-10-17 WO claimed
US-20020002145-A1 Adenosine A2A receptor antagonists for treating and preventing hepatic fibrosis, cirrhosis and fatty liver NEW YORK UNIVERSITY 2002-01-03 US claimed
WO-2001058241-A2 ADENOSINE A2A RECEPTOR ANTAGONISTS FOR TREATING AND PREVENTING HEPATIC FIBROSIS, CIRRHOSIS AND FATTY LIVER NEW YORK UNIVERSITY (US) 2001-08-16 WO claimed
EP-0502043-B1 UTILIZATION OF XANTHINES, OPTIONALLY INCORPORATED IN LIPOSOMES IN ORDER TO HELP THE PIGMENTATION OF SKIN OR HAIR LVMH RECH (FR) 1995-03-01 EP claimed
EP-0502043-A1 UTILIZATION OF XANTHINES, OPTIONALLY INCORPORATED IN LIPOSOMES IN ORDER TO HELP THE PIGMENTATION OF SKIN OR HAIR. LVMH RECH (FR) 1992-09-09 EP claimed
WO-1991007945-A1 UTILIZATION OF XANTHINES, OPTIONALLY INCORPORATED IN LIPOSOMES IN ORDER TO HELP THE PIGMENTATION OF SKIN OR HAIR LVMH RECHERCHE (FR) 1991-06-13 WO claimed
US-12569445-B2 Particles comprising a therapeutic or diagnostic agent and suspensions and methods of use thereof HALOZYME HYPERCON, INC. (US) 2026-03-10 US disclosed
US-12558323-B2 Particle formation and morphology ELEKTROFI, INC. (US) 2026-02-24 US disclosed
US-4612315-A Biologically-active 1,3-dipropyl-8-phenylxanthine derivatives THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1986-09-16 US disclosed
US-4612315-A Biologically-active 1,3-dipropyl-8-phenylxanthine derivatives THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1986-09-16 US disclosed
US-4593095-A ADENOSINE RECEPTOR ANTAGONISTS THE JOHNS HOPKINS UNIVERSITY (US) 1986-06-03 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 (5 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-12569445-B2 Particles comprising a therapeutic or diagnostic agent and suspensions and methods of use thereof ALB, S100P, S100A8 ADORA2B 3145/4885ADORA2A 2833/4885KDM4E 3147/4885
US-12558323-B2 Particle formation and morphology CD63, EXOSC10, EPCAM ADORA2B 4009/4885ADORA2A 3001/4885KDM4E 2657/4885
US-20020002145-A1 Adenosine A2A receptor antagonists for treating and preventing hepatic fibrosis, cirrhosis and fatty liver ADORA2A, ADORA1, ADORA2B ADORA2B 3/4885ADORA2A 1/4885KDM4E 2470/4885
US-20210393857-A1 SMALL MOLECULE DRUGS AND METHODS TO ACCELERATE OSSEOINTEGRATION PER2, NCOR2, NR4A2 ADORA2B 672/4885ADORA2A 254/4885KDM4E 1437/4885
US-20130156872-A1 Integrated Neuromodulation System for Mood Enhancement of a Living Human Subject BDNF, SLC18A2, HTR5A ADORA2B 320/4885ADORA2A 128/4885KDM4E 2782/4885

“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.