SCHEMBL4408536

SCHEMBL4408536

CCSc1nc(N)c2[nH]cnc2n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 1/20 0.56
▸ GDA Q9Y2T3 1/20 0.56
▸ KDR P35968 1/20 0.53
▸ AURKB Q96GD4 1/20 0.53
▸ CDK1 P06493 11/20 0.48
▸ CCNB1 P14635 11/20 0.48
▸ CCNA2 P20248 10/20 0.48
▸ CDK2 P24941 10/20 0.48
▸ CCNA1 P78396 10/20 0.48
▸ PIN1 Q13526 1/20 0.47
▸ MAP3K5 Q99683 1/20 0.45
▸ PI4KA P42356 2/20 0.44
▸ PI4K2B Q8TCG2 2/20 0.44
▸ PI4K2A Q9BTU6 2/20 0.44
▸ PI4KB Q9UBF8 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ DRD3 P35462 1/20 0.44
▸ XDH P47989 1/20 0.44
▸ LRRK2 Q5S007 1/20 0.44
▸ POLA1 P09884 1/20 0.44

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
SCHEMBL5144928 0.83 XDH (0.56) PDPK1GDAKDRAURKBCDK1
SCHEMBL258583 0.83 PDPK1 (0.59) PDPK1GDAKDRAURKBCDK1
SCHEMBL29728815 0.83 PDPK1 (0.59) PDPK1GDAKDRAURKBCDK1
SCHEMBL11414191 0.80 PDPK1 (0.51) PDPK1GDAKDRAURKBCDK1
SCHEMBL1330116 0.79 PDPK1 (0.54) PDPK1GDAKDRAURKBCDK1
SCHEMBL8332129 0.78 KDR (0.55) PDPK1GDAKDRAURKBCDK2
SCHEMBL1665221 0.76 KDR (0.50) PDPK1GDAKDRAURKBCDK1
SCHEMBL29592683 0.76 PDPK1 (0.59) PDPK1GDACDK1CCNB1CCNA2
SCHEMBL1924592 0.76 PDPK1 (0.59) PDPK1GDACDK1CCNB1CCNA2
SCHEMBL16758710 0.75 MAP3K5 (0.69) PDPK1GDACDK1CCNB1CCNA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20080262214-A1 Synthesis of 2-Substituted Adenosines ADORA3, ADORA1, ADORA2A PDPK1 3562/4885GDA 184/4885KDR 2868/4885
US-20090131651-A1 Synthesis of 2-substituted adenosines ADORA3, NT5C2, RNGTT PDPK1 3552/4885GDA 100/4885KDR 3616/4885

“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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