SCHEMBL21363575

SCHEMBL21363575

CC(C)(C)n1cnc2nc(N)sc2c1=O

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 1/20 0.37
PI4K2B Q8TCG2 1/20 0.37
PI4K2A Q9BTU6 1/20 0.37
PI4KB Q9UBF8 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TRPA1 O75762 2/20 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
SCHEMBL7761858 0.77 TRPA1 (0.37) ALDH1A1HPGDHSD17B10TRPA1
SCHEMBL26155650 0.73 CNOT7 (0.40) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL31424547 0.71 GRM1 (0.41) PI4KAPI4K2BPI4K2API4KBTRPA1
SCHEMBL21363440 0.69 ALDH1A1 (0.37) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL21363499 0.69 ALDH1A1 (0.37) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL21363506 0.67 TRPA1 (0.37) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL2733196 0.66 MEN1 (0.59) ALDH1A1
SCHEMBL31424497 0.65 CYP11B2 (0.42)
SCHEMBL31424530 0.65 MCHR1 (0.42)
SCHEMBL24659487 0.65 PI4KA (0.42) PI4KAPI4K2BPI4K2API4KBALDH1A1

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-11655245-B2 Oxadiazole transient receptor potential channel inhibitors GENENTECH, INC. (US) 2023-05-23 US disclosed
US-11655245-B2 Oxadiazole transient receptor potential channel inhibitors GENENTECH, INC. (US) 2023-05-23 US disclosed
US-20230121700-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS GENENTECH, INC. (US) 2023-04-20 US disclosed
US-20200308161-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS GENENTECH, INC. (US) 2020-10-01 US disclosed
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 (5 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-11655245-B2 Oxadiazole transient receptor potential channel inhibitors TRPA1, TRPV1, P2RX3 PI4KA 3457/4885PI4K2B 4015/4885PI4K2A 3865/4885
US-20190284179-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS TRPA1, TRPV1, TRPV3 PI4KA 3446/4885PI4K2B 3939/4885PI4K2A 3876/4885
US-20200308161-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS TRPA1, TRPV1, P2RX3 PI4KA 3457/4885PI4K2B 4015/4885PI4K2A 3865/4885
US-10710994-B2 Oxadiazole transient receptor potential channel inhibitors TRPA1, TRPV1, TRPV3 PI4KA 3446/4885PI4K2B 3939/4885PI4K2A 3876/4885
US-20230121700-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS TRPA1, TRPV1, TRPV3 PI4KA 3446/4885PI4K2B 3939/4885PI4K2A 3876/4885

“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.