SCHEMBL1553824

SCHEMBL1553824

Nc1ncnc2c1ncn2[C@@H]1O[C@H](COC2(Cl)CCCC2)[C@@H](O)[C@H]1O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 3/20 0.64
▸ SMN1; SMN2 Q16637 3/20 0.64
▸ ADORA3 P0DMS8 2/20 0.64
▸ ADORA2A P29274 2/20 0.64
▸ ADORA2B P29275 2/20 0.64
▸ DPP4 P27487 1/20 0.64
▸ MEN1 O00255 1/20 0.64
▸ SLC28A1 O00337 1/20 0.64
▸ MAP3K7 O43318 1/20 0.64
▸ SLC28A2 O43868 1/20 0.64
▸ GAPDH P04406 1/20 0.64
▸ MAPK1 P28482 1/20 0.64
▸ STAT6 P42226 1/20 0.64
▸ PI4KA P42356 1/20 0.64
▸ KMT2A Q03164 1/20 0.64
▸ PI4K2B Q8TCG2 1/20 0.64
▸ DOT1L Q8TEK3 1/20 0.64
▸ SLC29A1 Q99808 1/20 0.64
▸ PI4K2A Q9BTU6 1/20 0.64
▸ SLC28A3 Q9HAS3 1/20 0.64

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
SCHEMBL8651426 0.88 ADORA1 (0.64) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL10586178 0.88 ADORA1 (0.64) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL10345916 0.83 ADORA1 (0.61) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL3300186 0.82 ADORA1 (0.64) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL5024895 0.82 ADORA1 (0.76) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL12963362 0.82 ADORA1 (0.76) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL7803298 0.82 ADORA1 (0.76) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL481524 0.82 ADORA1 (0.76) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL10997946 0.82 ADORA1 (0.76) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL2040670 0.82 ADORA1 (0.76) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1439175-B1 PYRIMIDINE COMPOUND AND MEDICINAL COMPOSITION THEREOF EISAI R&D MAN CO LTD (JP) 2011-04-27 — — EP disclosed
EP-2246344-A1 Pyrimidine compounds and medicinal composition thereof Eisai R&D Management Co., Ltd. (JP) 2010-11-03 — — EP disclosed
EP-1308441-B1 2-AMINOPYRIDINE COMPOUNDS AND USE THEREOF AS DRUGS EISAI R&D MAN CO LTD (JP) 2009-10-07 — — EP disclosed
US-20090030023-A1 PYRIMIDINE COMPOUNDS AND MEDICINAL COMPOSITION THEREOF HARADA HITOSHI 2009-01-29 — — US disclosed
US-7396836-B2 Pyrimidine compound and medicinal composition thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-07-08 — — US disclosed
US-20080009623-A1 Pyrimidine compounds EISAI R&D MANAGEMENT CO., LTD. 2008-01-10 — — US disclosed
EP-1439176-B1 PYRIMIDONE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME EISAI R&D MAN CO LTD (JP) 2007-03-21 — — EP disclosed
US-7189717-B2 Medicinal compositions promoting bowel movement EISAI CO., LTD. (JP) 2007-03-13 — — US disclosed
US-20070054876-A1 Pharmaceutical composition promoting defecation YASUDA MASAHIRO 2007-03-08 — — US disclosed
US-7160892-B2 Pyrimidone compounds and pharmaceutical compositions containing the same EISAI CO., LTD. (JP) 2007-01-09 — — US disclosed
EP-1439176-A1 PYRIMIDONE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Eisai Co., Ltd. (JP) 2004-07-21 — — EP disclosed
US-6750232-B2 ADENOSINE ANTAGONIST; AN IMPORTANT REGULATORY FACTOR INVOLVED IN VARIOUS INTRACELLULAR METABOLISMS SUCH AS REGULATION OF ENERGY LEVELS EISAI CO., LTD. (JP) 2004-06-15 — — US disclosed
US-20040006082-A1 2-Aminopyridine compounds and use thereof as drugs EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-01-08 — — US disclosed
US-20030171383-A1 Medicinal compositions promoting bowel movement EISAI R&D MANAGEMENT CO., LTD. (JP) 2003-09-11 — — US disclosed
US-6579868-B1 Reacting a 2,6-dihalo-substituted purine compound with ammonia or an amine EISAI CO., LTD. (JP) 2003-06-17 — — US disclosed
EP-1054012-B1 PURINE DERIVATIVES AND ADENOSINE A2 RECEPTOR ANTAGONISTS SERVING AS PREVENTIVES/REMEDIES FOR DIABETES EISAI CO LTD (JP) 2003-06-11 — — EP disclosed
EP-1308441-A1 2-AMINOPYRIDINE COMPOUNDS AND USE THEREOF AS DRUGS Eisai Co., Ltd. (JP) 2003-05-07 — — EP disclosed
EP-1300147-A1 Purine compounds and adenosine A2 receptor antagonist as preventive or therapeutic agent for diabetes mellitus Eisai Co. Ltd (JP) 2003-04-09 — — EP disclosed
EP-1283056-A1 MEDICINAL COMPOSITIONS PROMOTING BOWEL MOVEMENT Eisai Co., Ltd. (JP) 2003-02-12 — — EP disclosed
EP-1054012-A1 PURINE DERIVATIVES AND ADENOSINE A2 RECEPTOR ANTAGONISTS SERVING AS PREVENTIVES/REMEDIES FOR DIABETES Eisai Co., Ltd. (JP) 2000-11-22 — — 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 (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-20070054876-A1 Pharmaceutical composition promoting defecation ADORA2B, ADORA2A, ADORA1 ADORA1 3/4885SMN1; SMN2 1521/4885ADORA3 4/4885
US-20090030023-A1 PYRIMIDINE COMPOUNDS AND MEDICINAL COMPOSITION THEREOF CBR3, AHR, HCCS ADORA1 328/4885SMN1; SMN2 3141/4885ADORA3 129/4885
US-20080009623-A1 Pyrimidine compounds DPYD, TYMP, UMPS ADORA1 689/4885SMN1; SMN2 1548/4885ADORA3 1299/4885
US-20040006082-A1 2-Aminopyridine compounds and use thereof as drugs ADORA1, ADORA2B, ADORA2A ADORA1 1/4885SMN1; SMN2 4309/4885ADORA3 4/4885
US-20030171383-A1 Medicinal compositions promoting bowel movement ADORA2A, ADORA3, ADORA2B ADORA1 4/4885SMN1; SMN2 2926/4885ADORA3 2/4885

“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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