SCHEMBL4563686

SCHEMBL4563686

C=CCc1ncnc2c1ncn2N

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 7/20 0.41
▸ ADORA1 P30542 6/20 0.34
▸ ADORA2B P29275 2/20 0.34
▸ ADORA3 P0DMS8 1/20 0.34
▸ AHCY P23526 5/20 0.33
▸ PI4KA P42356 3/20 0.33
▸ PI4K2B Q8TCG2 3/20 0.33
▸ PI4K2A Q9BTU6 3/20 0.33
▸ PI4KB Q9UBF8 3/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.30
▸ LMNA P02545 1/20 0.30

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
SCHEMBL10435358 0.80 ADORA2A (0.38) ADORA2AADORA1ADORA2BADORA3AHCY
SCHEMBL22399500 0.77 ADORA2A (0.42) ADORA2AADORA1ADORA2BADORA3AHCY
SCHEMBL3802731 0.77 AHCY (0.49) ADORA2AADORA1AHCYPI4KAPI4K2B
SCHEMBL7668705 0.75 ADORA2A (0.41) ADORA2AADORA1ADORA2BAHCYPI4KA
SCHEMBL72542 0.71 ADORA2A (0.46) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL4455868 0.71 ADORA2A (0.37) ADORA2AADORA1ADORA2BADORA3PI4KA
SCHEMBL15829723 0.71 ADORA2A (0.37) ADORA2AADORA1ADORA2BAHCYPI4KA
SCHEMBL667204 0.69 ADORA2A (0.62) ADORA2AADORA1ADORA2BADORA3PI4KA
SCHEMBL16949893 0.67 ADORA2A (0.37) ADORA2AADORA1ADORA2BADORA3AHCY
SCHEMBL1868819 0.67 FDPS (0.44) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180311237-A1 COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING MUCOSITIS AND WEIGHT LOSS ZPNE GROUP GMBH (CH) 2018-11-01 — — US disclosed
US-20150031701-A1 COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING MUCOSITIS AND WEIGHT LOSS ZPNE GROUP GMBH (CH) 2015-01-29 — — US disclosed
EP-2134347-A2 COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING MUCOSITIS AND WEIGHT LOSS Prendergast, Patrick T. (AU) 2009-12-23 — — EP disclosed
WO-2008110585-A2 COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING MUCOSITIS AND WEIGHT LOSS PRENDERGAST PATRICK T (AU) 2008-09-18 — — WO 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-20180311237-A1 COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING MUCOSITIS AND WEIGHT LOSS SI, MTPN, MUC1 ADORA2A 1666/4885ADORA1 2214/4885ADORA2B 2650/4885
US-20150031701-A1 COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING MUCOSITIS AND WEIGHT LOSS SI, MTPN, MUC1 ADORA2A 1666/4885ADORA1 2214/4885ADORA2B 2650/4885

“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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