SCHEMBL2495370

SCHEMBL2495370

[CH2]Cn1cnc2c(N)ncnc21

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 10/20 0.69
ADORA1 P30542 4/20 0.69
PI4KA P42356 3/20 0.69
PI4K2B Q8TCG2 3/20 0.69
PI4K2A Q9BTU6 3/20 0.69
PI4KB Q9UBF8 3/20 0.69
ADORA2B P29275 1/20 0.65
AHCY P23526 7/20 0.58
ALDH1A1 P00352 1/20 0.55

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
SCHEMBL15841807 0.86 ADORA2A (0.71) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL11222112 0.85 ADORA2A (0.80) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL12925855 0.83 ADORA2A (0.71) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL5065704 0.82 ADORA2A (0.59) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL1871838 0.81 ADORA2A (0.75) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL22558037 0.81 ADORA2A (0.69) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL1924594 0.81 ADORA2A (1.00) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL1798270 0.81 ADORA2A (0.72) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL16057701 0.80 ADORA2A (0.68) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL2638103 0.80 ADORA2A (0.73) ADORA2AADORA1PI4KAPI4K2BPI4K2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102812013-B Novel benzopyran kinase modulators RHIZEN PHARMACEUTICALS S.A. (CH) 2016-05-25 CN claimed
CN-103702989-A Novel compounds as modulators of protein kinases RHIZEN PHARMACEUTICALS SA 2014-04-02 CN claimed
CN-100509833-C Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2009-07-08 CN claimed
CN-1630661-A Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2005-06-22 CN claimed
US-20040220120-A1 Novel anhydrolide derivatives having antibacterial activity VO NHA HUU (US) 2004-11-04 US claimed
WO-2004069854-A1 NOVEL ANHYDROLIDE DERIVATIVES HAVING ANTIBACTERIAL ACTIVITY ENANTA PHARMACEUTICALS. INC. (US) 2004-08-19 WO claimed
US-6720308-B1 Anhydrolide derivatives having antibacterial activity ENANTA PHARMACEUTICALS, INC. 2004-04-13 US claimed
CN-116854772-A Analogue of endomorphin and adenine conjugated peptide with analgesic activity and synthesis method thereof 中国人民解放军空军军医大学 2023-10-10 CN disclosed
CN-102812013-B Novel benzopyran kinase modulators RHIZEN PHARMACEUTICALS S.A. (CH) 2016-05-25 CN disclosed
CN-103702989-A Novel compounds as modulators of protein kinases RHIZEN PHARMACEUTICALS SA 2014-04-02 CN disclosed
CN-101115764-B New macrolides BASILEA PHARMACEUTICA AG 2012-09-26 CN disclosed
CN-101289483-B Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG 2012-06-20 CN disclosed
EP-1888615-B1 17 -HSD1 AND STS INHIBITORS ABBOTT PRODUCTS GMBH (DE) 2012-05-16 EP disclosed
US-20060281710-A1 17SS-HSD1 and STS inhibitors SOLVAY PHARMACEUTICALS GMBH 2006-12-14 US disclosed
CN-1234718-C New macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2006-01-04 CN disclosed
CN-1630661-A Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2005-06-22 CN disclosed
US-20040220120-A1 Novel anhydrolide derivatives having antibacterial activity VO NHA HUU (US) 2004-11-04 US disclosed
WO-2004069854-A1 NOVEL ANHYDROLIDE DERIVATIVES HAVING ANTIBACTERIAL ACTIVITY ENANTA PHARMACEUTICALS. INC. (US) 2004-08-19 WO disclosed
US-6720308-B1 Anhydrolide derivatives having antibacterial activity ENANTA PHARMACEUTICALS, INC. 2004-04-13 US disclosed
CN-1464880-A New macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2003-12-31 CN 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-20060281710-A1 17SS-HSD1 and STS inhibitors HSD17B11, HSD17B1, STS ADORA2A 4764/4885ADORA1 4129/4885PI4KA 3292/4885
US-20040220120-A1 Novel anhydrolide derivatives having antibacterial activity GALE, GNE, GMDS ADORA2A 2432/4885ADORA1 1463/4885PI4KA 4121/4885

“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.