SCHEMBL569530

SCHEMBL569530

Brc1c2n(c3cccnc13)CCCC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.36
KDM4E B2RXH2 3/20 0.36
TP53 P04637 2/20 0.36
ALOX12 P18054 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
CYP2C19 P33261 2/20 0.36
NPC1 O15118 1/20 0.36
CYP1A2 P05177 1/20 0.36
HSP90AA1 P07900 1/20 0.36
CYP2D6 P10635 1/20 0.36
ALOX15 P16050 1/20 0.36
MPI P34949 1/20 0.36
RAB9A P51151 1/20 0.36
ATM Q13315 1/20 0.36
ALDH1A1 P00352 5/20 0.35
MAPT P10636 2/20 0.35
BRD4 O60885 1/20 0.35

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
SCHEMBL22554261 0.70 DDB1 (0.35) LMNAKDM4ETP53ALOX12L3MBTL1
SCHEMBL569668 0.70 ALOX5 (0.44) PDE4AMAPK14
SCHEMBL27311286 0.66 PDE4A (0.40) PDE4A
SCHEMBL21292087 0.66 PDE4A (0.40) PDE4A
SCHEMBL30954490 0.66 PDE4A (0.40) PDE4A
SCHEMBL569208 0.65 HPGD (0.42) LMNAKDM4EHTTALDH1A1HPGD
SCHEMBL21292085 0.64 PDE4A (0.63) PDE4A
SCHEMBL31546213 0.64 POLB (0.50) LMNATP53HTTSMN1; SMN2ALDH1A1
SCHEMBL13218905 0.64 POLB (0.50) LMNAKDM4ETP53HTTSMN1; SMN2
SCHEMBL31037926 0.62 POLB (0.52) LMNATP53HTTSMN1; SMN2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2601192-B1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICALS CO (JP) 2017-03-01 EP disclosed
US-9029536-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-12 US disclosed
US-20130172292-A1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-04 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-20130172292-A1 FUSED HETEROCYCLIC COMPOUNDS PDE10A, PDE3A, PDE2A LMNA 1292/4885KDM4E 1619/4885TP53 4189/4885

“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.