Sugi Predict

Sugi Predict / Compounds / SCHEMBL1945331

SCHEMBL1945331

SCHEMBL1945331

CC(C)Cn1c(N)c(N)c(=O)[nH]c1=O

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.64
▸ ALDH1A1 P00352 5/20 0.64
▸ MEN1 O00255 5/20 0.64
▸ KMT2A Q03164 5/20 0.64
▸ GAA P10253 2/20 0.64
▸ LMNA P02545 1/20 0.64
▸ MAPT P10636 3/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ POLB P06746 1/20 0.44
▸ GLA P06280 1/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42

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
SCHEMBL10730940 0.84 KDM4E (0.51) KDM4EALDH1A1MEN1KMT2AGAA
SCHEMBL1958856 0.81 SMN1; SMN2 (0.46) KDM4EALDH1A1MEN1KMT2AGAA
SCHEMBL1946869 0.81 KDM4E (0.56) KDM4EALDH1A1MEN1KMT2AGAA
SCHEMBL1546553 0.80 MAPT (0.67) KDM4EALDH1A1MEN1KMT2AGAA
SCHEMBL1947866 0.77 KDM4E (0.43) KDM4EALDH1A1MEN1KMT2AGAA
SCHEMBL10699801 0.77 KDM4E (0.68) KDM4EALDH1A1MEN1KMT2AGAA
SCHEMBL1565331 0.77 MAPT (0.69) KDM4EALDH1A1MEN1KMT2AGAA
SCHEMBL1546769 0.76 ALDH1A1 (0.46) KDM4EALDH1A1MEN1KMT2AGAA
Hydrochloric Acid SCHEMBL4692433 0.76 MAPT (0.67) KDM4EALDH1A1MEN1KMT2AGAA
SCHEMBL1945482 0.74 MAPT (0.71) KDM4EALDH1A1MEN1KMT2AGAA

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130123280-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS GILEAD SCIENCES, INC. (US) 2013-05-16 — — US disclosed
US-8324224-B2 A2B adenosine receptor antagonists GILEAD SCIENCES, INC. (US) 2012-12-04 — — US disclosed
US-20110257127-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS GILEAD SCIENCES, INC. (US) 2011-10-20 — — US disclosed
EP-1444233-B1 A2B ADENOSINE RECEPTOR ANTAGONISTS GILEAD PALO ALTO INC (US) 2011-08-17 — — EP disclosed
US-20110130362-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS GILEAD SCIENCES, INC. (US) 2011-06-02 — — US disclosed
US-7795269-B2 A2B adenosine receptor antagonists GILEAD PALO ALTO, INC. (US) 2010-09-14 — — US disclosed
US-20100222300-A1 A2B Adenosine Receptor Antagonists GILEAD PALO ALTO, INC. (US) 2010-09-02 — — US disclosed
US-7741331-B2 A2B adenosine receptor antagonists GILEAD PALO ALTO, INC. (US) 2010-06-22 — — US disclosed
US-20080318983-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS GILEAD SCIENCES, INC. 2008-12-25 — — US disclosed
US-20080194593-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS GILEAD SCIENCES, INC. 2008-08-14 — — US disclosed
US-6825349-B2 PURINE DERIVATIVES FOR TREATMENT OF GASTROINTESTINAL DISORDERS, IMMUNOLOGICAL DISORDERS, NEUROLOGICAL DISORDERS CV THERAPEUTICS INC. 2004-11-30 — — US disclosed
EP-1444233-A2 A 2B? ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2004-08-11 — — EP disclosed
US-20040152027-A1 Toning agents for use in thermographic recording materials AGFA-GEVAERT (BE) 2004-08-05 — — US disclosed
EP-1435298-A2 Toning agents for use in thermographic and photothermographic recording materials Agfa-Gevaert (BE) 2004-07-07 — — EP disclosed
US-20030229106-A1 A2B adenosine receptor antagonists GILEAD SCIENCES, INC. 2003-12-11 — — US disclosed
EP-1198464-B1 8-PHENYL-6,9-DIHYDRO-[1,2,4]TRIAZOLO[3,4-i]PURIN-5-ONE DERIVATIVES ALMIRALL PRODESFARMA SA (ES) 2003-10-08 — — EP disclosed
US-20030139428-A1 A2B adenosine receptor antagonists GILEAD SCIENCES, INC. 2003-07-24 — — US disclosed
WO-2003042214-A2 A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2003-05-22 — — WO disclosed
US-20030060627-A1 8-Phenyl-6, 9-dihydro-[1,2,4] triazolo[3,4-i]purin-5-one derivatives ALMIRALL PRODESFARMA, S.A. (ES) 2003-03-27 — — US disclosed
EP-0010531-B1 3-ALKYLXANTHINES, PROCESSES FOR THEIR PREPARATION AND COMPOSITIONS FOR USE IN THE TREATMENT OF CHRONIC OBSTRUCTIVE AIRWAY DISEASE AND CARDIAC DISEASE Aktiebolaget DRACO (SE) 1982-06-02 — — EP 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 (9 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-20080194593-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 KDM4E 4384/4885ALDH1A1 443/4885MEN1 4437/4885
US-20110257127-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 KDM4E 4389/4885ALDH1A1 875/4885MEN1 4713/4885
US-20030060627-A1 8-Phenyl-6, 9-dihydro-[1,2,4] triazolo[3,4-i]purin-5-one derivatives HYOU1, CHN2, PURB KDM4E 4355/4885ALDH1A1 1064/4885MEN1 2214/4885
US-20100222300-A1 A2B Adenosine Receptor Antagonists ADORA2B, ADORA2A, ADORA1 KDM4E 4389/4885ALDH1A1 875/4885MEN1 4713/4885
US-20030139428-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 KDM4E 4096/4885ALDH1A1 691/4885MEN1 4745/4885
US-20030229106-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 KDM4E 4096/4885ALDH1A1 691/4885MEN1 4745/4885
US-20080318983-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 KDM4E 4384/4885ALDH1A1 443/4885MEN1 4437/4885
US-20130123280-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 KDM4E 4389/4885ALDH1A1 875/4885MEN1 4713/4885
US-20110130362-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 KDM4E 4389/4885ALDH1A1 875/4885MEN1 4713/4885

“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.