SCHEMBL4408534

SCHEMBL4408534

CCSc1nc(N)c2nc[nH]c2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.39
ABCB1 P08183 2/20 0.38
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
KDR P35968 1/20 0.35
AURKB Q96GD4 1/20 0.35
HPGD P15428 2/20 0.33
MAPK1 P28482 2/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HASPIN Q8TF76 1/20 0.33
PDPK1 O15530 1/20 0.32
GDA Q9Y2T3 1/20 0.32
CDK1 P06493 5/20 0.31
CCNB1 P14635 5/20 0.31
CCNA2 P20248 5/20 0.31
CDK2 P24941 5/20 0.31
CCNA1 P78396 5/20 0.31

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
SCHEMBL29386248 0.88 ALDH1A1 (0.41) ADORA2AADORA1KDRAURKBHPGD
SCHEMBL3960621 0.85 SMN1; SMN2 (0.45) HPGDTSHRHTTRAB9ASMN1; SMN2
SCHEMBL5144923 0.84 KDM4E (0.47) HPGDTSHRHTTRAB9ASMN1; SMN2
SCHEMBL3962781 0.83 RAB9A (0.43) KDRAURKBTSHRRAB9ASMN1; SMN2
SCHEMBL27157678 0.83 KDM4E (0.49) HPGDTSHRHTTRAB9ASMN1; SMN2
SCHEMBL4058424 0.83 CDK1 (0.38) KDRAURKBRAB9ASMN1; SMN2CDK1
SCHEMBL258582 0.81 MAP3K5 (0.37) HSP90AA1ABCB1PDPK1GDAALDH1A1
SCHEMBL4068517 0.81 METAP2 (0.38) KDRAURKBHTTRAB9ASMN1; SMN2
SCHEMBL11414187 0.80 TP53 (0.46) KDRAURKBHPGDMAPK1TSHR
SCHEMBL4152240 0.78 RAB9A (0.51) HSP90AA1TSHRRAB9ASMN1; SMN2ALDH1A1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240368164-A1 PURINE NUCLEOSIDES, THEIR INTERMEDIATES, AND METHODS OF PREPARATION THEREOF ASTROCYTE PHARMACEUTICALS, INC. 2024-11-07 US disclosed
EP-4329773-A1 PURINE NUCLEOSIDES, THEIR INTERMEDIATES, AND METHODS OF PREPARATION THEREOF Astrocyte Pharmaceuticals, Inc. (US) 2024-03-06 EP disclosed
CN-117241803-A Purine nucleosides, intermediates and methods of making the same 阿斯特罗赛特制药公司 2023-12-15 CN disclosed
WO-2022232810-A1 PURINE NUCLEOSIDES, THEIR INTERMEDIATES, AND METHODS OF PREPARATION THEREOF ASTROCYTE PHARMACEUTICALS, INC. (US) 2022-11-03 WO disclosed
US-20090131651-A1 Synthesis of 2-substituted adenosines CBT DEVELOPMENT LIMITED (GB) 2009-05-21 US disclosed
US-20080262214-A1 Synthesis of 2-Substituted Adenosines CAMBRIDGE BIOTECHNOLOGY LIMITED (GB) 2008-10-23 US disclosed
EP-1697393-A1 IMPROVED SYNTHESIS OF 2-SUBSTITUTED ADENOSINES BIOVITRUM AB (SE) 2006-09-06 EP disclosed
EP-1694691-A1 IMPROVED SYNTHESIS OF 2-SUBSTITUTED ADENOSINES BIOVITRUM AB (SE) 2006-08-30 EP disclosed
WO-2005056571-A1 IMPROVED SYNTHESIS OF 2-SUBSTITUTED ADENOSINES BIOVITRUM AB (SE) 2005-06-23 WO disclosed
WO-2005054269-A1 IMPROVED SYNTHESIS OF 2-SUBSTITUTED ADENOSINES BIOVITRUM AB (SE) 2005-06-16 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 (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-20080262214-A1 Synthesis of 2-Substituted Adenosines ADORA3, ADORA1, ADORA2A HSP90AA1 4332/4885ABCB1 200/4885ADORA2A 3/4885
US-20240368164-A1 PURINE NUCLEOSIDES, THEIR INTERMEDIATES, AND METHODS OF PREPARATION THEREOF NUDT1, PNP, UMPS HSP90AA1 4038/4885ABCB1 1321/4885ADORA2A 23/4885
US-20090131651-A1 Synthesis of 2-substituted adenosines ADORA3, NT5C2, RNGTT HSP90AA1 4564/4885ABCB1 1018/4885ADORA2A 16/4885

“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.