SCHEMBL21363713

SCHEMBL21363713

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.54
CYP2A6 P11509 3/20 0.48
PIM1 P11309 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.42
MEN1 O00255 1/20 0.41
PSIP1 O75475 1/20 0.41
AXL P30530 1/20 0.41
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
CYP2C9 P11712 1/20 0.41
KMO O15229 1/20 0.40
ROS1 P08922 2/20 0.40
CYP19A1 P11511 1/20 0.40
CLK1 P49759 1/20 0.40
DYRK1A Q13627 1/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL21363630 0.88 KIF11 (0.44) KIF11CYP2A6PIM1LOXL2MEN1
SCHEMBL20089424 0.87 KIF11 (0.64) KIF11CYP2A6MEN1PSIP1AXL
SCHEMBL2733410 0.84 KIF11 (0.68) KIF11CYP2A6MEN1PSIP1AXL
SCHEMBL13179001 0.83 KIF11 (0.70) KIF11CYP2A6MEN1PSIP1AXL
SCHEMBL24604650 0.80 KIF11 (0.67) KIF11CYP2A6MEN1PSIP1AXL
SCHEMBL19238778 0.80 CYP2A6 (0.58) CYP2A6LOXL2MEN1PSIP1AXL
SCHEMBL12957243 0.80 CYP2A6 (0.66) CYP2A6PIM1LOXL2CYP2C9KMO
SCHEMBL23928351 0.79 KIF11 (0.57) KIF11CYP2A6MEN1PSIP1AXL
SCHEMBL29988950 0.79 KIF11 (0.57) KIF11CYP2A6MEN1PSIP1AXL
SCHEMBL25523707 0.79 KIF11 (0.65) KIF11PIM1KMORXRARXRB

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 2274/4885PIM1 4791/4885
US-10710994-B2 Oxadiazole transient receptor potential channel inhibitors TRPA1, TRPV1, TRPV3 KIF11 4103/4885CYP2A6 2274/4885PIM1 4791/4885

“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.