SCHEMBL570913

SCHEMBL570913

COCOc1ccc(-c2cn(CCCBr)c3cccnc23)cc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 5/20 0.44
GSK3B P49841 5/20 0.38
FYN P06241 2/20 0.34
BRD9 Q9H8M2 1/20 0.33
BRD7 Q9NPI1 1/20 0.33
MAOB P27338 1/20 0.33
QPCT Q16769 1/20 0.33
NFATC1 O95644 1/20 0.33
DYRK1A Q13627 1/20 0.33
IDH1 O75874 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
SCHEMBL7986889 0.66 KDR (0.51) GSK3BQPCT
SCHEMBL569739 0.66 GSK3B (0.44) GSK3BFYNDYRK1A
SCHEMBL13131352 0.64 REN (0.52) GSK3B
SCHEMBL570812 0.63 PDE4A (0.44)
SCHEMBL8318119 0.62 KDM4E (0.49) FYN
SCHEMBL197283 0.62 FYN (0.45) FYNMAOB
SCHEMBL7548397 0.61 KDR (0.57) GSK3B
SCHEMBL15064427 0.61 PDE10A (0.60) PDE10AGSK3BNFATC1DYRK1A
SCHEMBL30065606 0.60 CHRM1 (0.41)
SCHEMBL3842457 0.60 CYP3A4 (0.61) FYNDYRK1A

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 5 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
EP-2601192-A1 FUSED HETEROCYCLIC COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2013-06-12 EP disclosed
WO-2012018909-A1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-09 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-20130172292-A1 FUSED HETEROCYCLIC COMPOUNDS PDE10A, PDE3A, PDE2A PDE10A 1/4885GSK3B 876/4885FYN 1189/4885

“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.