SCHEMBL569065

SCHEMBL569065

Cn1c(Oc2ccc(Br)cc2)nc2cccnc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
ALDH1A1 P00352 4/20 0.39
TSHR P16473 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC5 Q9UQL6 2/20 0.39
MAPT P10636 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
RAB9A P51151 2/20 0.38
USP2 O75604 1/20 0.38
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HDAC8 Q9BY41 1/20 0.38
MAPK1 P28482 1/20 0.38
NPC1 O15118 1/20 0.37
PKM P14618 1/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36

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
SCHEMBL569045 0.82 ALDH1A1 (0.46) ALDH1A1TSHRKMT2AMAPTTDP1
SCHEMBL1699191 0.80 HDAC1 (0.43) LMNAALDH1A1TSHRMEN1KMT2A
SCHEMBL12045427 0.80 PDE10A (0.46) LMNAALDH1A1TSHRMEN1KMT2A
SCHEMBL569272 0.79 HDAC1 (0.42) LMNAALDH1A1TSHRMEN1KMT2A
SCHEMBL1701997 0.78 HTT (0.52) LMNAALDH1A1TSHRMEN1KMT2A
SCHEMBL15064396 0.77 SNCA (0.39) LMNAALDH1A1TSHRMEN1KMT2A
SCHEMBL569384 0.77 THRB (0.37) LMNAKMT2AMAPTKDM4EPOLB
SCHEMBL15940109 0.76 LMNA (0.39) LMNAALDH1A1TSHRMEN1KMT2A
SCHEMBL7695849 0.76 PDE10A (0.46) ALDH1A1MAPTRAB9ANPC1PDE10A
SCHEMBL14889025 0.76 LMNA (0.37) LMNAALDH1A1TSHRMEN1KMT2A

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 1292/4885ALDH1A1 270/4885TSHR 395/4885

“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.