SCHEMBL11908593

SCHEMBL11908593

Nc1ncnc2c1ncn2F

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 12/20 0.60
▸ ADORA1 P30542 8/20 0.60
▸ PI4KA P42356 12/20 0.55
▸ PI4K2B Q8TCG2 12/20 0.55
▸ PI4K2A Q9BTU6 12/20 0.55
▸ PI4KB Q9UBF8 12/20 0.55
▸ ADORA2B P29275 4/20 0.55
▸ EGFR P00533 1/20 0.51
▸ ADORA3 P0DMS8 2/20 0.50

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
SCHEMBL580610 0.78 ADORA2A (0.64) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL28413958 0.77 ADORA2A (0.62) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL667204 0.77 ADORA2A (0.62) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL8284838 0.75 ADORA2A (0.60) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL8069211 0.75 ADORA2A (0.60) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL1370892 0.75 ADORA2A (0.60) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL2342091 0.75 ADORA2A (0.60) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL106573 0.75 ADORA2A (1.00) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL1357265 0.75 ADORA2A (0.60) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL9074153 0.75 ADORA2A (0.60) 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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119265192-A Compound of modified nucleotide monomer and application of compound in RNAi (ribonucleic acid interference) medicament 纳肽得(青岛)生物医药有限公司 2025-01-07 — — CN disclosed
CN-118834250-A Novel delivery vehicle 纳肽得(青岛)生物医药有限公司 2024-10-25 — — CN disclosed
CN-118834255-A Novel modified nucleotide and application thereof in RNAi (ribonucleic acid interference) medicament 纳肽得(青岛)生物医药有限公司 2024-10-25 — — CN disclosed
CN-118813612-A Application of compound in RNAi (ribonucleic acid interference) medicament 纳肽得(青岛)生物医药有限公司 2024-10-22 — — CN disclosed
CN-117737057-A Small nucleic acid sequence with enhanced anti-hepatitis B effect and conjugate thereof 纳肽得(青岛)生物医药有限公司 2024-03-22 — — CN disclosed
CN-117363614-A SiRNA for inhibiting expression of angiotensinogen and application thereof 纳肽得(青岛)生物医药有限公司 2024-01-09 — — CN disclosed
CN-117363615-A SiRNA for inhibiting complement C5 expression and application thereof 纳肽得(青岛)生物医药有限公司 2024-01-09 — — CN disclosed
US-10172863-B2 Purine derivatives useful as HSP90 inhibitors SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2019-01-08 — — US disclosed
CN-104592337-B A kind of preparation method of 9- β-D- arabinofuranosidases glycosyl -2- fluoro adenine -5 '-phosphate 山东新时代药业有限公司 2018-09-07 — — CN disclosed
US-20160310497-A1 PURINE DERIVATIVES USEFUL AS HSP90 INHIBITORS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH 2016-10-27 — — US disclosed
US-9328114-B2 Hsp90 inhibitors SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2016-05-03 — — US disclosed
US-20120208806-A1 Hsp90 Inhibitors SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2012-08-16 — — US disclosed
CN-101099745-A Methods and compositions for treating flaviviruses and pestiviruses IDENIX CAYMAN LTD (VG) 2008-01-09 — — CN disclosed
CN-1816338-A Use of roscovitine for treating lymphocytic leukemia CYCLACEL LTD (GB) 2006-08-09 — — 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 (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-10172863-B2 Purine derivatives useful as HSP90 inhibitors XDH, HSP90B1, HSP90AA1 ADORA2A 249/4885ADORA1 388/4885PI4KA 2546/4885
US-20120208806-A1 Hsp90 Inhibitors HSP90B1, HSP90AB1, HSP90AB2P ADORA2A 4807/4885ADORA1 4859/4885PI4KA 2194/4885
US-20160310497-A1 PURINE DERIVATIVES USEFUL AS HSP90 INHIBITORS XDH, HSP90B1, HSP90AA1 ADORA2A 249/4885ADORA1 388/4885PI4KA 2546/4885

“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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