SCHEMBL4022673

SCHEMBL4022673

Nc1ncnc2c1nc(NCc1cccnc1)n2CCCl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 3/20 0.48
SLC28A2 O43868 5/20 0.47
KDM4C Q9H3R0 1/20 0.46
ADORA2A P29274 2/20 0.44
ADORA1 P30542 2/20 0.44
HSPA8 P11142 2/20 0.43
LMNA P02545 2/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSPA5 P11021 1/20 0.43
ALDH1A1 P00352 3/20 0.42
P2RX7 Q99572 1/20 0.41
MEN1 O00255 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 2/20 0.41
GLA P06280 1/20 0.41

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
SCHEMBL4025801 0.90 FBP1 (0.48) FBP1SLC28A2KDM4CADORA2AADORA1
SCHEMBL4025797 0.89 FBP1 (0.48) FBP1SLC28A2KDM4CADORA2AADORA1
SCHEMBL4024671 0.89 SLC28A2 (0.51) FBP1SLC28A2KDM4CADORA2AADORA1
SCHEMBL27708066 0.87 SLC28A2 (0.49) FBP1SLC28A2KDM4CADORA2AADORA1
SCHEMBL4402903 0.87 SLC28A2 (0.47) FBP1SLC28A2KDM4CADORA2AADORA1
SCHEMBL985566 0.83 PI4KA (0.42) FBP1SLC28A2ADORA2AADORA1HSPA5
SCHEMBL986317 0.81 FBP1 (0.48) FBP1ADORA2AADORA1MAPK1HSPA5
SCHEMBL15089829 0.73 TMIGD3 (0.43) KDM4CADORA2AADORA1LMNAMAPK1
SCHEMBL987270 0.73 PI4KA (0.43) FBP1SLC28A2ADORA2AADORA1HSPA5
SCHEMBL985660 0.72 ADORA2A (0.51) FBP1SLC28A2ADORA2AADORA1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101115764-B New macrolides BASILEA PHARMACEUTICA AG 2012-09-26 CN disclosed
US-7524823-B2 Macrolides BASILEA PHARMACEUTICA AG (CH) 2009-04-28 US disclosed
EP-1846430-B1 NEW MACROLIDES BASILEA PHARMACEUTICA AG (CH) 2009-04-01 EP disclosed
CN-101115764-A New macrolides BASILEA PHARMACEUTICA AG (CH) 2008-01-30 CN disclosed
EP-1846430-A1 NEW MACROLIDES Basilea Pharmaceutica AG (CH) 2007-10-24 EP disclosed
US-20060264387-A1 Macrolides BASILEA PHARMACEUTICA AG (CH) 2006-11-23 US disclosed
WO-2006084410-A1 NEW MACROLIDES BASILEA PHARMACEUTICA AG (CH) 2006-08-17 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-20060264387-A1 Macrolides PPME1, MGAM, SMPD1 FBP1 203/4885SLC28A2 1570/4885KDM4C 4233/4885

“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.