SCHEMBL21363710

SCHEMBL21363710

CC(C)n1c(N)nc2cccnc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
AKT1 P31749 3/20 0.40
AKT2 P31751 2/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
PDE10A Q9Y233 1/20 0.39
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MTOR P42345 1/20 0.38
AKT3 Q9Y243 1/20 0.37
TP53 P04637 1/20 0.37
CSF1R P07333 1/20 0.37
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
PDE2A O00408 1/20 0.37

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
SCHEMBL22477776 0.87 CYP1A2 (0.40) CYP1A2CYP2C19AKT1AKT2MAPT
SCHEMBL1106498 0.81 CSNK1E (0.47) AKT1AKT2MAPTKDM4EPDE10A
SCHEMBL21924776 0.79 PDE10A (0.39) AKT1AKT2MAPTPDE10ATSHR
SCHEMBL12354239 0.79 PDE2A (0.43) CYP1A2CYP2C19MAPTPDE10ATSHR
SCHEMBL16939382 0.79 PDE10A (0.43) MAPTPDE10ATSHRMAPK1CASP1
SCHEMBL1106512 0.79 TP53 (0.43) AKT1AKT2MAPTPDE10ATSHR
SCHEMBL13599973 0.77 RAB9A (0.41) MAPTKDM4EPDE10ATSHRMAPK1
SCHEMBL19233674 0.77 KDM4E (0.52) CYP1A2CYP2C19AKT1AKT2MAPT
SCHEMBL3991461 0.76 CYP1A2 (0.56) CYP1A2CYP2C19AKT1AKT2KDM4E
SCHEMBL12464592 0.76 KDM4E (0.42) CYP1A2MAPTKDM4EPDE10ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190284179-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS GENENTECH, INC. (US) 2019-09-19 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 (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-20190284179-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS TRPA1, TRPV1, TRPV3 CYP1A2 753/4885CYP2C19 641/4885AKT1 2150/4885

“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.