SCHEMBL21363630

SCHEMBL21363630

CC(C)c1cccc(-c2ccnc(-c3cc(-c4cccnc4)cc(C(C)(C)C)c3)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.44
CYP2A6 P11509 1/20 0.42
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
FLT3 P36888 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.37
CTSA P10619 2/20 0.37
CYP2C9 P11712 1/20 0.37
PTPN5 P54829 1/20 0.37
PIM1 P11309 1/20 0.36
ROS1 P08922 2/20 0.36
CTSL P07711 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
CLK1 P49759 1/20 0.36
DYRK1A Q13627 1/20 0.36

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
SCHEMBL21363713 0.88 KIF11 (0.54) KIF11CYP2A6LOXL2CYP2C9PIM1
SCHEMBL2737287 0.78 CYP2A6 (0.56) CYP2A6PSEN1PSEN2APH1BNCSTN
SCHEMBL17834274 0.77 CYP2A6 (0.54) KIF11CYP2A6PSEN1PSEN2APH1B
SCHEMBL13179001 0.77 KIF11 (0.70) KIF11CYP2A6CYP2C9DYRK1AMEN1
SCHEMBL23928351 0.76 KIF11 (0.57) KIF11CYP2A6CYP2C9MEN1PSIP1
SCHEMBL29988950 0.76 KIF11 (0.57) KIF11CYP2A6CYP2C9MEN1PSIP1
SCHEMBL20089424 0.76 KIF11 (0.64) KIF11CYP2A6CYP2C9CLK1DYRK1A
SCHEMBL25522727 0.75 PTPN5 (0.53) KIF11CTSAPTPN5
SCHEMBL20078244 0.74 PSEN1 (0.47) CYP2A6PSEN1PSEN2APH1BNCSTN
SCHEMBL24604650 0.74 KIF11 (0.67) KIF11CYP2A6CYP2C9DYRK1AMEN1

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-10710994-B2 Oxadiazole transient receptor potential channel inhibitors GENENTECH, INC. (US) 2020-07-14 US disclosed
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 (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-20190284179-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS TRPA1, TRPV1, TRPV3 KIF11 4103/4885CYP2A6 2274/4885PSEN1 595/4885
US-10710994-B2 Oxadiazole transient receptor potential channel inhibitors TRPA1, TRPV1, TRPV3 KIF11 4103/4885CYP2A6 2274/4885PSEN1 595/4885

“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.