SCHEMBL4650748

SCHEMBL4650748

CCCn1c(=O)c2[nH]c(-c3ccc(Cl)cc3N)nc2n(CCC)c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ADORA2B P29275 9/20 0.74
▸ ADORA2A P29274 3/20 0.64
▸ ADORA1 P30542 4/20 0.62
▸ KDM4E B2RXH2 1/20 0.58
▸ MEN1 O00255 1/20 0.58
▸ ALDH1A1 P00352 1/20 0.58
▸ CYP1A2 P05177 1/20 0.58
▸ CYP3A4 P08684 1/20 0.58
▸ CYP2C9 P11712 1/20 0.58
▸ CYP2C19 P33261 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ HSD17B10 Q99714 1/20 0.58

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
SCHEMBL10614388 0.90 ADORA2B (0.60) ADORA2BADORA2AADORA1KDM4EALDH1A1
SCHEMBL10614407 0.89 ADORA2B (0.71) ADORA2BADORA2AADORA1KDM4EMEN1
SCHEMBL10614242 0.84 ADORA2B (0.53) ADORA2BADORA2A
SCHEMBL10614202 0.84 ADORA2B (0.70) ADORA2BADORA2AADORA1KDM4EMEN1
SCHEMBL10614067 0.83 ADORA2B (0.60) ADORA2BADORA2AADORA1
SCHEMBL10614219 0.83 ADORA2B (0.52) ADORA2BADORA2AADORA1
SCHEMBL10856890 0.82 ADORA2B (0.61) ADORA2BADORA2AADORA1KDM4EMEN1
SCHEMBL10614807 0.81 ADORA2B (0.57) ADORA2BKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL10616203 0.81 ADORA2B (0.51) ADORA2BADORA2A
SCHEMBL10616213 0.81 PDE5A (0.60) —

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 48 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
US-20040013609-A1 For identification of substances for treatment or prevention of insufficient longitudinal growth of eye(hypermetropia) or excessive longitudinal growth of eye(myopia); involves measurement of effect on retinal pigment epithelium TRIER KLAUS (DK) 2004-01-22 — — US claimed
EP-0970696-A1 Combination of loop diuretics with adenosine A1-receptor antagonists KYOWA HAKKO KOGYO CO., LTD. (JP) 2000-01-12 — — EP claimed
WO-1998030900-A2 SCREENING METHOD FOR COMPOUNDS ACTIVE IN TREATING MYOPIA AND HYPERMETROPIA KLAUS TRIER APS (DK) 1998-07-16 — — WO claimed
EP-0322206-B1 Compositions and methods for improving cold tolerance in animals and humans CA MINISTER NAT DEFENCE (CA) 1995-05-24 — — EP 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
US-5192740-A Adenosine receptor antagonist UNIVERSITY OF ALBERTA (CA) 1993-03-09 — — US 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-4593095-A ADENOSINE RECEPTOR ANTAGONISTS THE JOHNS HOPKINS UNIVERSITY (US) 1986-06-03 — — US 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
EP-3876871-A1 SMALL MOLECULE DRUGS AND METHODS TO ACCELERATE OSSEOINTEGRATION The Regents of the University of California (US) 2021-09-15 — — EP disclosed
EP-1904020-A2 NEW SLIMMING COSMETIC COMPOSITIONS Sederma S.A.S. (FR) 2008-04-02 — — EP disclosed
WO-2007010478-A2 SLIMMING COSMETIC COMPOSITIONS SEDERMA (FR) 2007-01-25 — — WO disclosed
EP-0322206-A2 Compositions and methods for improving cold tolerance in animals and humans HER MAJESTY IN RIGHT OF CANADA AS REPRESENTED BY THE MINISTER OF NATIONAL DEFENCE (CA) 1989-06-28 — — EP disclosed
US-4783530-A CARDIOTONIC AND BRONCHODILATOR AGENTS MARION LABORATORIES, INC. (US) 1988-11-08 — — US disclosed
US-4769377-A Adenosine receptor antagonists THE JOHNS HOPKINS UNIVERSITY (US) 1988-09-06 — — US disclosed
EP-0267607-A1 8-Arylxanthines MARION MERRELL DOW INC. (US) 1988-05-18 — — EP 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 (2 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 254/4885ADORA1 577/4885
US-20040013609-A1 For identification of substances for treatment or prevention of insufficient longitudinal growth of eye(hypermetropia) or excessive longitudinal growth of eye(myopia); involves measurement of effect on retinal pigment epithelium RYR1, ATP2A2, ATP2A1 ADORA2B 826/4885ADORA2A 414/4885ADORA1 681/4885

“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.

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