SCHEMBL4077255

SCHEMBL4077255

COC(=O)c1cc2c(NC3CCC(O)CC3)nc(-c3ccccc3)nc2[nH]1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 4/20 0.60
▸ ADORA2A P29274 3/20 0.60
▸ ADORA3 P0DMS8 2/20 0.60
▸ ADORA2B P29275 2/20 0.60
▸ ACP1 P24666 3/20 0.48
▸ CYP1A2 P05177 5/20 0.47
▸ CLK4 Q9HAZ1 5/20 0.47
▸ CYP3A4 P08684 4/20 0.47
▸ USP2 O75604 4/20 0.47
▸ TSHR P16473 3/20 0.47
▸ HSD17B10 Q99714 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ TP53 P04637 2/20 0.47
▸ ALOX15 P16050 2/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ CYP2C19 P33261 2/20 0.47
▸ CYP2D6 P10635 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47

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
SCHEMBL7752267 1.00 ADORA1 (0.60) ADORA1ADORA2AADORA3ADORA2BACP1
SCHEMBL7751012 0.90 ADORA1 (0.62) ADORA1ADORA2AADORA3ADORA2BACP1
SCHEMBL7751035 0.89 ADORA1 (0.65) ADORA1ADORA2AADORA3ADORA2BACP1
SCHEMBL4079175 0.89 ADORA1 (0.65) ADORA1ADORA2AADORA3ADORA2BACP1
SCHEMBL4082386 0.88 ADORA1 (0.62) ADORA1ADORA2AADORA3ADORA2BACP1
SCHEMBL7751195 0.83 ADORA1 (0.67) ADORA1ADORA2AADORA3ADORA2BACP1
SCHEMBL14263467 0.79 GAA (0.37) ADORA1ADORA2AADORA3ADORA2BTSHR
SCHEMBL8365600 0.78 ACP1 (0.57) ADORA1ADORA2AADORA3ADORA2BACP1
SCHEMBL7751003 0.77 ADORA1 (0.56) ADORA1ADORA2AADORA3ADORA2BACP1
SCHEMBL22587416 0.77 ACP1 (0.60) ADORA1ADORA2AADORA3ADORA2BACP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7598252-B2 Compounds specific to adenosine A, receptors and uses thereof OSI PHARMACEUTICALS, INC. (US) 2009-10-06 — — US disclosed
US-20080070936-A1 Compounds specific to adenosine A1 receptors and uses thereof OSI PHARMACEUTICALS, INC. 2008-03-20 — — US disclosed
EP-1731520-A1 Pyrrolo[2,3-d]pyrimidine derivatives which are antagonists of adenosine A1, A2A, and A3 OSI Pharmaceuticals, Inc. (US) 2006-12-13 — — EP disclosed
EP-1246623-B1 COMPOUNDS SPECIFIC TO ADENOSINE A1, A2A, AND A3 RECEPTOR AND USES THEREOF OSI PHARM INC (US) 2006-08-09 — — EP disclosed
US-20040082598-A1 Compounds specific to adenosine A, receptors and uses thereof OSI PHARMACEUTICALS, INC. 2004-04-29 — — US disclosed
US-20040082599-A1 Compounds specific to adenosine A1 receptors and uses thereof OSI PHARMACEUTICALS, INC. 2004-04-29 — — US disclosed
US-6680322-B2 FOR THERAPY OF ASTHMA, ALLERGIC RHINITIS, RESPIRATORY SYSTEM DISORDERS OSI PHARMACEUTICALS, INC. 2004-01-20 — — US disclosed
US-6680324-B2 4-AMINO-6-PHENYL-PYRROLO(2,3-D)PYRIMIDINE DERIVATIVES OSI PHARMACEUTICALS, INC. 2004-01-20 — — US disclosed
US-20030045536-A1 Compounds specific to adenosine A1 receptors and uses thereof OSI PHARMACEUTICALS, INC. 2003-03-06 — — US disclosed
US-20020058667-A1 Compounds specific to adenosine A1 receptors and uses thereof OSI PHARMACEUTICALS, INC. 2002-05-16 — — 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-20040082598-A1 Compounds specific to adenosine A, receptors and uses thereof ADORA2A, ADORA1, ADORA3 ADORA1 2/4885ADORA2A 1/4885ADORA3 3/4885
US-20020058667-A1 Compounds specific to adenosine A1 receptors and uses thereof ADORA1, ADORA2A, ADORA3 ADORA1 1/4885ADORA2A 2/4885ADORA3 3/4885
US-20030045536-A1 Compounds specific to adenosine A1 receptors and uses thereof ADORA1, ADORA2A, ADORA3 ADORA1 1/4885ADORA2A 2/4885ADORA3 3/4885
US-20080070936-A1 Compounds specific to adenosine A1 receptors and uses thereof ADORA1, ADORA2A, ADORA3 ADORA1 1/4885ADORA2A 2/4885ADORA3 3/4885
US-20040082599-A1 Compounds specific to adenosine A1 receptors and uses thereof ADORA1, ADORA2A, ADORA3 ADORA1 1/4885ADORA2A 2/4885ADORA3 3/4885

“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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