SCHEMBL20064218

SCHEMBL20064218

N#Cc1ccnc(N2CC(N)C2)n1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.44
PANK3 Q9H999 1/20 0.41
CHRM2 P08172 1/20 0.41
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
CTSK P43235 1/20 0.40
HRH4 Q9H3N8 2/20 0.38
CHRM4 P08173 1/20 0.38
HTR1A P08908 4/20 0.37
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
DYRK1A Q13627 2/20 0.36
PIM1 P11309 1/20 0.35

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
SCHEMBL25280102 0.80 CTSS (0.42) CTSSPANK3CHRM2NR1H2NR1H3
SCHEMBL31421020 0.78 PANK3 (0.49) CTSSPANK3CTSKHTR1ADYRK1A
SCHEMBL29324869 0.77 PANK3 (0.48) CTSSPANK3CTSKHTR1A
SCHEMBL20064225 0.75 HCRTR2 (0.45) HRH4HCRTR1HCRTR2
SCHEMBL21227847 0.75 HRH4 (0.41) PANK3HRH4DYRK1A
SCHEMBL10845137 0.74 ACHE (0.48) CTSSPANK3NR1H2NR1H3CTSK
SCHEMBL29627867 0.74 CTSS (0.44) CTSSPANK3CHRM2CTSKHTR1A
SCHEMBL30165199 0.74 ADRB1 (0.55) PANK3CTSKHTR1A
SCHEMBL567862 0.74 PIK3CA (0.50) PANK3
SCHEMBL16432600 0.74 ADRB1 (0.55) PANK3CTSKHTR1A

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
US-11053234-B2 1,3 di-substituted cyclobutane or azetidine derivatives as hematopoietic prostaglandin D synthase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-07-06 US disclosed
US-20190241554-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-08-08 US disclosed
WO-2018069863-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-04-19 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 (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-11053234-B2 1,3 di-substituted cyclobutane or azetidine derivatives as hematopoietic prostaglandin D synthase inhibitors HPGDS, PTGDR, PTGER1 CTSS 1199/4885PANK3 3436/4885CHRM2 1744/4885
US-20190241554-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS HPGDS, PTGDR, PTGER1 CTSS 1199/4885PANK3 3436/4885CHRM2 1744/4885

“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.