SCHEMBL15834823

SCHEMBL15834823

CCc1cnc2nsnc2c1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 1/20 0.37
KCNH2 Q12809 2/20 0.33
HRH4 Q9H3N8 2/20 0.33
HRH3 Q9Y5N1 2/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HRH2 P25021 1/20 0.31
HRH1 P35367 1/20 0.31
GAA P10253 1/20 0.31
MAPK1 P28482 1/20 0.31
PARP1 P09874 1/20 0.30

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
SCHEMBL10223036 0.76 NOS3 (0.35) KCNH2HRH4HRH3NPC1RAB9A
SCHEMBL18123545 0.74 KCNH2 (0.39) KCNH2HRH4HRH3NPC1RAB9A
SCHEMBL257319 0.69 PTPN11 (0.48) NPC1RAB9ASMN1; SMN2GAA
SCHEMBL2546878 0.69 DYRK1A (0.48) TDO2SMN1; SMN2MAPK1
SCHEMBL21372012 0.69 TDO2 (0.43) TDO2
SCHEMBL8313715 0.69 PTPN11 (0.48) TDO2
SCHEMBL16891613 0.69 KCNH2 (0.33) KCNH2HRH4HRH3HRH2HRH1
SCHEMBL23006577 0.68 KCNH2 (0.32) KCNH2HRH4HRH3HRH2HRH1
SCHEMBL19836262 0.68 HRH3 (0.38) KCNH2HRH4HRH3NPC1RAB9A
SCHEMBL31347400 0.67 ALDH1A1 (0.38) KCNH2HRH4HRH3NPC1RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170334861-A1 TETRAHYDRO- AND DIHYDRO-ISOQUINOLINE PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-11-23 US disclosed
WO-2014100734-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2014-06-26 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 (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-20170334861-A1 TETRAHYDRO- AND DIHYDRO-ISOQUINOLINE PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT3 TDO2 2634/4885KCNH2 3856/4885HRH4 530/4885

“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.