SCHEMBL13044512

SCHEMBL13044512

Cn1cc(CO)c2cccnc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.47
KDM4E B2RXH2 4/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
LMNA P02545 2/20 0.46
NPC1 O15118 1/20 0.46
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CCNT1 O60563 1/20 0.43
PIM1 P11309 1/20 0.43
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43
CDK9 P50750 1/20 0.43
CDK5 Q00535 1/20 0.43
CDK5R1 Q15078 1/20 0.43
KDM6B O15054 1/20 0.43
KDM5A P29375 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
PRMT5 O14744 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
SCHEMBL13168783 0.86 CCNT1 (0.47) DYRK1AKDM4ECCNT1PIM1CCNA2
SCHEMBL4569765 0.84 DYRK1A (0.46) DYRK1AKDM4EL3MBTL1CCNT1PIM1
SCHEMBL967806 0.81 HTR2A (0.57) DYRK1AKDM4ECCNT1PIM1CCNA2
SCHEMBL14678667 0.81 DYRK1A (0.43) DYRK1AKDM4ECCNT1PIM1CCNA2
SCHEMBL4569767 0.81 DYRK1A (0.50) DYRK1AKDM4ESMN1; SMN2CCNT1PIM1
SCHEMBL1092197 0.81 DYRK1A (0.43) DYRK1AKDM4ECCNT1PIM1CCNA2
SCHEMBL30433061 0.81 HSD17B10 (0.49) DYRK1AKDM4EL3MBTL1SMN1; SMN2CCNT1
Hydrochloric Acid SCHEMBL21546060 0.80 HTR2A (0.55) DYRK1AKDM4ECCNT1PIM1CCNA2
SCHEMBL13036629 0.80 DYRK1A (0.43) DYRK1AKDM4ECCNT1PIM1CCNA2
SCHEMBL23585682 0.79 DYRK1A (0.42) DYRK1AKDM4ECCNT1PIM1CCNA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180207140-A1 Pyrazolopyrimidines as Inhibitors of Glucocorticoid Receptor Translocation Sanford Burnham Prebys Medical Discovery Institute 2018-07-26 US disclosed
US-7829555-B1 Drug targeting THE UNIVERSITY OF MANCHESTER (GB) 2010-11-09 US 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-20180207140-A1 Pyrazolopyrimidines as Inhibitors of Glucocorticoid Receptor Translocation NR3C1, NR3C2, GRK3 DYRK1A 3781/4885KDM4E 3498/4885L3MBTL1 4662/4885

“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.