SCHEMBL17375910

SCHEMBL17375910

NCCc1cn(Cc2ccccc2)c(CO)n1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.40
CYP11B2 P19099 2/20 0.40
HRH1 P35367 2/20 0.40
HTR2A P28223 2/20 0.39
CYP2A6 P11509 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
POLB P06746 2/20 0.38
TLR8 Q9NR97 1/20 0.37
NOTUM Q6P988 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HSP90AA1 P07900 1/20 0.35
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MAOA P21397 1/20 0.33
CYP19A1 P11511 1/20 0.33

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
SCHEMBL3373965 0.86 NOTUM (0.45) CYP11B1CYP11B2POLBNOTUML3MBTL1
SCHEMBL17375925 0.77 MAPT (0.47) SMN1; SMN2L3MBTL1MEN1KMT2A
SCHEMBL9256717 0.73 BRD4 (0.52) SMN1; SMN2CCNCCDK8
Hydrochloric Acid SCHEMBL10507246 0.73 TLR8 (0.43) CYP11B1CYP11B2SMN1; SMN2LOXL2TLR8
SCHEMBL11211116 0.72 MAPK1 (0.40) CYP11B1CYP11B2POLBNOTUML3MBTL1
SCHEMBL20742035 0.72 TLR8 (0.38) CYP11B1CYP11B2POLBTLR8CYP19A1
SCHEMBL27749451 0.71 TLR8 (0.47) CYP11B1CYP11B2SMN1; SMN2TLR8L3MBTL1
SCHEMBL17375911 0.71 MAPT (0.47) SMN1; SMN2L3MBTL1MEN1KMT2A
SCHEMBL9597382 0.70 CYP11B1 (0.42) CYP11B1CYP11B2SMN1; SMN2POLBTLR8
SCHEMBL10591397 0.69 TNF (0.45) SMN1; SMN2POLBNOTUML3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170198006-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-07-13 US disclosed
US-20170198006-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-07-13 US disclosed
US-20170198006-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-07-13 US disclosed
EP-3160477-A2 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-05-03 EP disclosed
WO-2015200680-A2 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2015-12-30 WO disclosed
WO-2015200680-A2 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2015-12-30 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-20170198006-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 CYP11B1 1054/4885CYP11B2 1162/4885HRH1 2182/4885

“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.