SCHEMBL569208

SCHEMBL569208

c1cnc2cc3n(c2c1)CCCC3

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 1/20 0.35
RPS6KA5 O75582 1/20 0.35
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
CHKA P35790 1/20 0.33
GRM5 P41594 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
SCHEMBL18527085 0.95 KDM4E (0.47) HPGDKDM4EALDH1A1LMNAHTT
SCHEMBL1770250 0.74 NOTUM (0.35) LMNARPS6KA5
SCHEMBL18527078 0.73 HRH1 (0.37) HPGDKDM4EALDH1A1LMNAHTT
SCHEMBL18527176 0.72 CYP1A2 (0.36) KMT2ARPS6KA5HTR2CGRM5
SCHEMBL29548539 0.72 HTR2A (0.62) HTR2AHTR2C
SCHEMBL669577 0.72 HTR2A (0.62) HTR2AHTR2C
SCHEMBL7300514 0.70 HTR2A (0.60) POLBHTR2AHTR2C
SCHEMBL18911620 0.70 HTR2A (0.60) POLBHTR2AHTR2C
SCHEMBL1770392 0.70 HRH4 (0.34)
SCHEMBL13629395 0.69 RPS6KA5 (0.34) LMNARPS6KA5

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
WO-2017031325-A1 OXADIAZINE COMPOUNDS AND METHODS OF USE THEREOF FORUM PHARMACEUTICALS INC. (US) 2017-02-23 WO disclosed
US-20170050980-A1 OXADIAZINE COMPOUNDS AND METHODS OF USE THEREOF DENALI THERAPEUTICS, INC. 2017-02-23 US 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 (2 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 HPGD 972/4885KDM4E 1619/4885ALDH1A1 270/4885
US-20170050980-A1 OXADIAZINE COMPOUNDS AND METHODS OF USE THEREOF PSEN2, SMN1; SMN2, OTC HPGD 296/4885KDM4E 3178/4885ALDH1A1 1137/4885

“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.