SCHEMBL4910013

SCHEMBL4910013

c1ccc2c3c(cnc2c1)CNN3

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 2/20 0.41
KDM4E B2RXH2 1/20 0.41
PDPK1 O15530 1/20 0.34
CA12 O43570 1/20 0.34
PARP1 P09874 1/20 0.34
ALOX15 P16050 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CA9 Q16790 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
TOP2A P11388 2/20 0.34
ERN1 O75460 1/20 0.34
NCF1 P14598 2/20 0.32
PI4KA P42356 1/20 0.32
PI4K2B Q8TCG2 1/20 0.32
PI4K2A Q9BTU6 1/20 0.32
PI4KB Q9UBF8 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32

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
SCHEMBL12406712 0.81 KDM4E (0.44) GPR3KDM4EPDPK1CA12PARP1
SCHEMBL35211549 0.79 KDM4C (0.40) KDM4E
SCHEMBL27896391 0.77 MAPT (0.50) KDM4ESMN1; SMN2ERN1
SCHEMBL25666751 0.76 KDM4E (0.39) GPR3KDM4EPDPK1CA12PARP1
SCHEMBL1770055 0.71 KDM4E (0.41) GPR3KDM4EPDPK1CA12PARP1
SCHEMBL31503196 0.69 KDM4E (0.42) GPR3KDM4EPDPK1CA12PARP1
SCHEMBL25666733 0.69 KDM4E (0.39) GPR3KDM4ENCF1ADRB2
SCHEMBL1159910 0.68 ALDH1A1 (0.42) KDM4ECA12CA9
SCHEMBL25666747 0.68 KDM4E (0.38) GPR3KDM4ETOP2AERN1NCF1
SCHEMBL29997743 0.67 GPR3 (0.48) GPR3KDM4EPDPK1CA12PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080021056-A1 Fused, Tricyclic Sulfonamide Inhibitors of Gamma Secretase ELAN PHARMACEUTICALS, INC. 2008-01-24 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-20080021056-A1 Fused, Tricyclic Sulfonamide Inhibitors of Gamma Secretase BACE1, BACE2, PSEN1 GPR3 1834/4885KDM4E 3281/4885PDPK1 2609/4885

“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.