SCHEMBL21683285

SCHEMBL21683285

CC(C)(C)c1nc(-c2ccc(CN)cc2)no1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.53
HDAC4 P56524 5/20 0.47
HDAC6 Q9UBN7 13/20 0.46
NOTUM Q6P988 1/20 0.44
HDAC1 Q13547 10/20 0.44
HDAC8 Q9BY41 10/20 0.44
ADRB2 P07550 1/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL11891931 0.85 HPGDS (0.46) AOC3HDAC6HDAC1HDAC8
SCHEMBL31375480 0.84 AOC3 (0.47) AOC3HDAC4HDAC6HDAC1HDAC8
SCHEMBL8360856 0.84 HDAC6 (0.60) HDAC4HDAC6HDAC1HDAC8
SCHEMBL8362557 0.84 NOTUM (0.47) HDAC4HDAC6NOTUMHDAC1HDAC8
Bromide SCHEMBL29373726 0.83 HDAC6 (0.59) HDAC4HDAC6HDAC1HDAC8
Hydrochloric Acid SCHEMBL18422626 0.83 HDAC6 (0.59) HDAC4HDAC6HDAC1HDAC8
SCHEMBL6497959 0.81 AOC3 (0.50) AOC3HDAC4HDAC6NOTUMKDM4E
SCHEMBL6650093 0.81 HDAC6 (0.50) HDAC4HDAC6HDAC1HDAC8
SCHEMBL29974996 0.81 HDAC6 (0.48) HDAC4HDAC6NOTUMHDAC1HDAC8
Hydrochloric Acid SCHEMBL29975570 0.80 HDAC6 (0.47) HDAC4HDAC6NOTUMHDAC1HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12486255-B2 Modulators of RAS GTPase TOSK, INC. (US) 2025-12-02 US disclosed
US-20240279206-A1 Modulators of RAS GTPase TOSK, INC. 2024-08-22 US disclosed
US-11945803-B2 Modulators of RAS GTPase TOSK, INC. (US) 2024-04-02 US disclosed
WO-2020033413-A2 MODULATORS OF RAS GTPASE TOSK, INC. (US) 2020-02-13 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 (3 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-12486255-B2 Modulators of RAS GTPase KRAS, HRAS, NRAS AOC3 4849/4885HDAC4 1731/4885HDAC6 785/4885
US-11945803-B2 Modulators of RAS GTPase KRAS, HRAS, NRAS AOC3 4849/4885HDAC4 1731/4885HDAC6 785/4885
US-20240279206-A1 Modulators of RAS GTPase KRAS, HRAS, NRAS AOC3 4849/4885HDAC4 1731/4885HDAC6 785/4885

“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.