SCHEMBL3394729

SCHEMBL3394729

Nc1ncnc2c1ncn2CCCl

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 10/20 0.71
ADORA1 P30542 5/20 0.71
ADORA2B P29275 1/20 0.71
PI4KA P42356 3/20 0.65
PI4K2B Q8TCG2 3/20 0.65
PI4K2A Q9BTU6 3/20 0.65
PI4KB Q9UBF8 3/20 0.65
NSD3 Q9BZ95 5/20 0.59
NSD2 O96028 4/20 0.59
LMNA P02545 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
ADCY5 O95622 1/20 0.56

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
SCHEMBL1532103 0.92 ADORA2A (0.74) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL20445820 0.90 ADORA2A (0.72) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL11222112 0.89 ADORA2A (0.80) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL2638103 0.84 ADORA2A (0.73) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL5033136 0.84 ADORA2A (0.73) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL15841807 0.83 ADORA2A (0.71) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL233405 0.83 ADORA2A (1.00) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL16762626 0.83 ADORA2A (0.71) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL29459142 0.83 ADORA2A (1.00) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL984944 0.83 ADORA2A (1.00) ADORA2AADORA1ADORA2BPI4KAPI4K2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2245038-B1 NEW MACROLIDES AND THEIR USE BASILEA PHARMACEUTICA AG (CH) 2018-11-07 EP disclosed
US-9963457-B2 Crystal of 5-((2-(6-amino)-9H-purin-9-yl)ethyl)amino)pentan-1-o1 FOREVER CHEER INTERNATIONAL LIMITED (CN) 2018-05-08 US disclosed
US-9963457-B2 Crystal of 5-((2-(6-amino)-9H-purin-9-yl)ethyl)amino)pentan-1-o1 FOREVER CHEER INTERNATIONAL LIMITED (CN) 2018-05-08 US disclosed
EP-3279200-A1 CRYSTAL OF 5-((2-(6-AMINO)-9H-PURIN-9-YL)ETHYL)AMINO)PENTAN-1-OL Forever Cheer International Limited (HK) 2018-02-07 EP disclosed
US-20180030058-A1 Crystal of 5-( (2-(6-amino)-9H-purin-9-yl) ethyl) amino) pentan-1-o1 FOREVER CHEER INTERNATIONAL LIMITED (CN) 2018-02-01 US disclosed
US-20180030058-A1 Crystal of 5-( (2-(6-amino)-9H-purin-9-yl) ethyl) amino) pentan-1-o1 FOREVER CHEER INTERNATIONAL LIMITED (CN) 2018-02-01 US disclosed
EP-1478653-B1 MACROLIDES WITH ANTIBACTERIAL ACTIVITY BASILEA PHARMACEUTICA AG (CH) 2014-07-02 EP disclosed
US-8410065-B2 Macrolides and their use BASILEA PHARMACEUTICA AG (CH) 2013-04-02 US disclosed
CN-101289483-B Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG 2012-06-20 CN disclosed
US-6740642-B2 ACTIVE AGAINST GRAM POSITIVE PATHOGENS SUCH AS STAPHYLOCOCCUS AUREUS, STREPTOCOCCUS PNEUMONIAE, GRAM NEGATIVE STRAINS SUCH AS HAEMOPHILUS INFLUENZAE; IMPROVED STABILITY BASILEA PARMACEUTICA AG (CH) 2004-05-25 US disclosed
CN-1464880-A New macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2003-12-31 CN disclosed
US-20030212011-A1 Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2003-11-13 US disclosed
US-20030199459-A1 Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG, A SWISS COMPANY (CH) 2003-10-23 US disclosed
WO-2003072588-A1 MACROLIDES WITH ANTIBACTERIAL ACTIVITY BASILEA PHARMACEUTICA AG (CH) 2003-09-04 WO disclosed
EP-1313751-A1 NEW MACROLIDES WITH ANTIBACTERIAL ACTIVITY Basilea Pharmaceutica AG (CH) 2003-05-28 EP disclosed
WO-2002016380-A1 NEW MACROLIDES WITH ANTIBACTERIAL ACTIVITY BASILEA PHARMACEUTICA AG (CH) 2002-02-28 WO disclosed
US-4119590-A Process for producing a polyion complex having a nucleic acid base TOYO SODA MANUFACTURING CO., LTD. (JP) 1978-10-10 US disclosed
US-4104466-A ACRYLIC POLYMER LIGANDS, ADSORPTION AND DESORPTION OF OXYGEN Tsuchida, Eishun (JP) 1978-08-01 US disclosed
US-4066827-A Process for producing a polyion complex having a nucleic acid base TOYO SODA MANUFACTURING CO., LTD. (JA) 1978-01-03 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 (3 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-20030212011-A1 Macrolides with antibacterial activity MRPL21, RPS21, MRPS18A ADORA2A 4653/4885ADORA1 3267/4885ADORA2B 4756/4885
US-20180030058-A1 Crystal of 5-( (2-(6-amino)-9H-purin-9-yl) ethyl) amino) pentan-1-o1 P2RY1, P2RY10, P2RY11 ADORA2A 54/4885ADORA1 26/4885ADORA2B 223/4885
US-20030199459-A1 Macrolides with antibacterial activity MRPL21, MRPS22, MRPL12 ADORA2A 4404/4885ADORA1 3037/4885ADORA2B 4398/4885

“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.