SCHEMBL987269

SCHEMBL987269

Nc1ncnc2c1nc(Nc1cccnc1)n2CC[S]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 1/20 0.44
PI4K2B Q8TCG2 1/20 0.44
PI4K2A Q9BTU6 1/20 0.44
PI4KB Q9UBF8 1/20 0.44
CHKA P35790 1/20 0.43
CCNA2 P20248 2/20 0.41
CDK2 P24941 2/20 0.41
CCNA1 P78396 2/20 0.41
CDK5 Q00535 2/20 0.41
DYRK1A Q13627 2/20 0.41
CDK5R1 Q15078 2/20 0.41
FBP1 P09467 2/20 0.40
EGFR P00533 1/20 0.40
SRC P12931 1/20 0.40
KDR P35968 1/20 0.40
ADORA2A P29274 11/20 0.39
ADORA1 P30542 11/20 0.39
ADORA2B P29275 8/20 0.39
ADORA3 P0DMS8 6/20 0.39
HSPA5 P11021 1/20 0.38

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
SCHEMBL987270 0.90 PI4KA (0.43) PI4KAPI4K2BPI4K2API4KBCHKA
SCHEMBL985566 0.89 PI4KA (0.42) PI4KAPI4K2BPI4K2API4KBCHKA
SCHEMBL985660 0.89 ADORA2A (0.51) PI4KAPI4K2BPI4K2API4KBCHKA
SCHEMBL27772455 0.86 PI4KA (0.43) PI4KAPI4K2BPI4K2API4KBCHKA
SCHEMBL4407310 0.86 CCNA2 (0.41) PI4KAPI4K2BPI4K2API4KBCHKA
SCHEMBL4025797 0.83 FBP1 (0.48) PI4KAPI4K2BPI4K2API4KBFBP1
SCHEMBL982883 0.82 HSPA5 (0.40) PI4KAPI4K2BPI4K2API4KBCHKA
SCHEMBL986513 0.76 FBP1 (0.48) PI4KAPI4K2BPI4K2API4KBFBP1
SCHEMBL4025801 0.72 FBP1 (0.48) PI4KAPI4K2BPI4K2API4KBFBP1
SCHEMBL4022673 0.72 FBP1 (0.48) PI4KAPI4K2BPI4K2API4KBFBP1

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
EP-2247294-B1 MACROLIDES FOR TREATING DISEASES MEDIATED THROUGH PDE INHIBITION BASILEA PHARMACEUTICA AG (CH) 2014-03-26 EP disclosed
EP-2049556-B1 NEW MACROLIDES USEFUL AGAINST INFLAMMATORY AND ALLERGIC DISEASES BASILEA PHARMACEUTICA AG (CH) 2013-07-03 EP disclosed
US-8445451-B2 Macrolides and uses of macrolides BASILEA PHARMACEUTICA AG (CH) 2013-05-21 US disclosed
US-8173609-B2 Macrolides useful against inflammatory and allergic diseases BASILEA PHARMACEUTICA AG (CH) 2012-05-08 US disclosed
US-20110021449-A1 MACROLIDES AND USES OF MACROLIDES BASILEA PHARMACEUTICA AG (CH) 2011-01-27 US disclosed
EP-2247294-A2 MACROLIDES FOR TREATING DISEASES MEDIATED THROUGH PDE INHIBITION Basilea Pharmaceutica AG (CH) 2010-11-10 EP disclosed
US-20100120706-A1 Macrolides Useful Against Inflammatory and Allergic Diseases BASILEA PHARMACEUTICA AG (CH) 2010-05-13 US disclosed
WO-2009098320-A2 MACROLIDES AND USES OF MACROLIDES BASILEA PHARMACEUTICA AG (CH) 2009-08-13 WO disclosed
EP-2049556-A1 NEW MACROLIDES USEFUL AGAINST INFLAMMATORY AND ALLERGIC DISSEASES Basilea Pharmaceutica AG (CH) 2009-04-22 EP disclosed
WO-2008017696-A1 NEW MACROLIDES USEFUL AGAINST INFLAMMATORY AND ALLERGIC DISSEASES BASILEA PHARMACEUTICA AG (CH) 2008-02-14 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-20100120706-A1 Macrolides Useful Against Inflammatory and Allergic Diseases HRH4, HRH2, IL4 PI4KA 1520/4885PI4K2B 760/4885PI4K2A 917/4885
US-20110021449-A1 MACROLIDES AND USES OF MACROLIDES MRPS22, MRPS23, MRPL12 PI4KA 3064/4885PI4K2B 3220/4885PI4K2A 2936/4885

“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.