SCHEMBL4061808

SCHEMBL4061808

Brc1ccc2nc(-c3cc4ccccc4s3)oc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.46
KDM4E B2RXH2 5/20 0.40
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
ALDH1A1 P00352 5/20 0.40
MAPT P10636 5/20 0.40
HPGD P15428 4/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
TSHR P16473 1/20 0.40
PIK3R1 P27986 1/20 0.40
PIK3CA P42336 1/20 0.40
NPC1 O15118 5/20 0.39
RAB9A P51151 5/20 0.39
TP53 P04637 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
NFKB1 P19838 1/20 0.39
STAT1 P42224 1/20 0.39

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
SCHEMBL29742225 0.84 IKBKB (0.51) IKBKBKDM4EMEN1KMT2AALDH1A1
SCHEMBL19961702 0.84 IKBKB (0.51) IKBKBKDM4EMEN1KMT2AALDH1A1
SCHEMBL24272304 0.83 IKBKB (0.46) IKBKBKDM4EALDH1A1MAPTHPGD
SCHEMBL29742360 0.83 MAPT (0.49) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL4053956 0.77 VSIR (0.48) IKBKBKDM4EALDH1A1MAPTHPGD
SCHEMBL4054051 0.77 PIK3R1 (0.48) IKBKBKDM4EALDH1A1MAPTHPGD
SCHEMBL2590623 0.75 GPR119 (0.52) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL26745179 0.75 IKBKB (0.43) IKBKBKDM4EALDH1A1MAPTHPGD
SCHEMBL2139699 0.74 SMN1; SMN2 (0.57) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL26745292 0.73 IKBKB (0.42) IKBKBKDM4EMAPTPIK3R1PIK3CA

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
US-7622479-B2 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-24 US disclosed
US-7622479-B2 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-24 US disclosed
US-7622479-B2 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-24 US disclosed
US-20050101647-A1 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-05-12 US disclosed
EP-1460067-A1 BICYCLIC DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Chemical Industries, Ltd. (JP) 2004-09-22 EP 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-20050101647-A1 Bicyclic derivative, its production and use ABL1, SRC, PTK2B IKBKB 111/4885KDM4E 496/4885MEN1 3709/4885

“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.