SCHEMBL23977387

SCHEMBL23977387

Nc1ncnc2c1ncn2Cc1ccc(Br)cn1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 10/20 0.57
PI4KA P42356 3/20 0.57
PI4K2B Q8TCG2 3/20 0.57
PI4K2A Q9BTU6 3/20 0.57
PI4KB Q9UBF8 3/20 0.57
NSD2 O96028 2/20 0.56
NSD3 Q9BZ95 2/20 0.56
ADORA1 P30542 4/20 0.52
ADORA2B P29275 1/20 0.50
AHCY P23526 5/20 0.49
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA4 P22748 1/20 0.47
CA9 Q16790 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
SCHEMBL30225464 1.00 ADORA2A (0.57) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL30225408 0.82 ADORA2A (0.54) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL23977338 0.82 ADORA2A (0.54) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL23977306 0.78 AHCY (0.58) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL30225389 0.78 AHCY (0.58) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL11813776 0.75 ADORA2A (0.63) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL11809827 0.74 ADORA2A (0.66) ADORA2API4KAPI4K2BPI4K2API4KB
9-Benzyl-9H-Adenine SCHEMBL104932 0.73 ADORA2A (1.00) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL11222112 0.72 ADORA2A (0.80) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL29093660 0.72 NSD3 (1.00) ADORA2ANSD2NSD3ADORA1ADORA2B

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-20230219964-A1 ANTIBACTERIAL AND ANTIFUNGAL PLEUROMUTILIN CONJUGATES SYDDANSK UNIVERSITET (DK) 2023-07-13 US disclosed
US-20230219964-A1 ANTIBACTERIAL AND ANTIFUNGAL PLEUROMUTILIN CONJUGATES SYDDANSK UNIVERSITET (DK) 2023-07-13 US disclosed
CN-115720579-A Antibacterial and antifungal pleuromutilin conjugates 赛丹思科大学 2023-02-28 CN disclosed
WO-2021219813-A1 ANTIBACTERIAL AND ANTIFUNGAL PLEUROMUTILIN CONJUGATES SYDDANSK UNIVERSITET (DK) 2021-11-04 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 (1 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-20230219964-A1 ANTIBACTERIAL AND ANTIFUNGAL PLEUROMUTILIN CONJUGATES HDAC6, Q6ZSR9, MON2 ADORA2A 4156/4885PI4KA 1564/4885PI4K2B 1170/4885

“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.