SCHEMBL4052208

SCHEMBL4052208

CCn1c(-c2cccc(OC)c2)nc2ncc(-c3ccccc3)cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK2 Q13002 2/20 0.48
GRIK1 P39086 1/20 0.48
KDM4E B2RXH2 3/20 0.47
MAPT P10636 3/20 0.47
NLRP3 Q96P20 1/20 0.47
HPGD P15428 2/20 0.45
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NR1H2 P55055 2/20 0.44
NR1H3 Q13133 2/20 0.44
GRIN1 Q05586 3/20 0.43
GRIN2B Q13224 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
GAA P10253 2/20 0.43
KMT2A Q03164 1/20 0.43
TLR7 Q9NYK1 1/20 0.43
PDGFRB P09619 1/20 0.43
PDGFRA P16234 1/20 0.43

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
SCHEMBL4051483 0.88 KDM4E (0.45) KDM4EMAPTHPGDNPC1ALDH1A1
SCHEMBL4051260 0.88 HTT (0.52) KDM4EMAPTHPGDALDH1A1SMN1; SMN2
SCHEMBL4049864 0.88 BRD4 (0.51) KDM4EMAPTHPGDALDH1A1SMN1; SMN2
SCHEMBL4056005 0.88 HPGD (0.52) KDM4EMAPTHPGDNPC1ALDH1A1
SCHEMBL4054527 0.87 TP53 (0.48) KDM4EMAPTHPGDNPC1ALDH1A1
SCHEMBL4058160 0.87 HTT (0.54) KDM4EMAPTHPGDALDH1A1SMN1; SMN2
SCHEMBL4061731 0.87 TP53 (0.45) KDM4EMAPTHPGDNPC1ALDH1A1
SCHEMBL4061314 0.87 NR1H2 (0.46) KDM4EMAPTHPGDNPC1ALDH1A1
SCHEMBL4059681 0.87 NR1H2 (0.48) KDM4EMAPTHPGDNPC1ALDH1A1
SCHEMBL4055483 0.87 KDM4E (0.49) KDM4EMAPTHPGDNPC1ALDH1A1

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 GRIK2 3575/4885GRIK1 3157/4885KDM4E 496/4885

“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.