SCHEMBL21610232

SCHEMBL21610232

COc1cc(Oc2nccc(N3C(=O)NC(C)(C)C3=O)n2)ccc1F

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AR P10275 7/20 0.38
RAF1 P04049 4/20 0.34
MAP2K1 Q02750 4/20 0.34
RAB9A P51151 1/20 0.34
PLA2G7 Q13093 1/20 0.34
DRD1 P21728 1/20 0.33
IDH1 O75874 1/20 0.33
BACE1 P56817 1/20 0.33
BACE2 Q9Y5Z0 1/20 0.33
SGK1 O00141 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
TRPA1 O75762 1/20 0.32

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
SCHEMBL21610234 0.88 AR (0.37) ARRAF1MAP2K1RAB9ADRD1
SCHEMBL21610266 0.88 AR (0.38) ARRAB9ASGK1CYP3A4CYP2C19
SCHEMBL21610206 0.87 AR (0.43) ARRAB9ADRD1CYP3A4CYP2C19
SCHEMBL21580674 0.86 AR (0.40) ARPLA2G7DRD1CYP3A4CYP2C19
SCHEMBL24350553 0.85 AR (0.38) ARRAF1MAP2K1PLA2G7DRD1
SCHEMBL21610141 0.85 AR (0.40) ARRAF1MAP2K1PLA2G7DRD1
SCHEMBL21610220 0.83 ALDH1A1 (0.41) ARPLA2G7DRD1CYP3A4CYP2C19
SCHEMBL31690567 0.83 ALDH1A1 (0.41) ARPLA2G7DRD1CYP3A4CYP2C19
SCHEMBL21610211 0.81 AR (0.38) ARDRD1BACE1BACE2CYP3A4
SCHEMBL21580616 0.81 AR (0.50) ARRAB9APLA2G7DRD1BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3947365-B1 SUBSTITUTED-N-HETEROARYL COMPOUNDS AND USES THEREOF BIONOMICS LTD (AU) 2025-10-01 EP disclosed
US-12139473-B2 Substituted-N-heteroaryl compounds and uses thereof BIONOMICS LIMITED (AU) 2024-11-12 US disclosed
US-20220112176-A1 SUBSTITUTED-N-HETEROARYL COMPOUNDS AND USES THEREOF BIONOMICS LIMITED (AU) 2022-04-14 US disclosed
US-20220112176-A1 SUBSTITUTED-N-HETEROARYL COMPOUNDS AND USES THEREOF BIONOMICS LIMITED (AU) 2022-04-14 US disclosed
EP-3947365-A2 SUBSTITUTED-N-HETEROARYL COMPOUNDS AND USES THEREOF Bionomics Limited (AU) 2022-02-09 EP disclosed
WO-2020000065-A2 SUBSTITUTED-N-HETEROARYL COMPOUNDS AND USES THEREOF BIONOMICS LIMITED (AU) 2020-01-02 WO disclosed
WO-2020000065-A2 SUBSTITUTED-N-HETEROARYL COMPOUNDS AND USES THEREOF BIONOMICS LIMITED (AU) 2020-01-02 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 (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-20220112176-A1 SUBSTITUTED-N-HETEROARYL COMPOUNDS AND USES THEREOF GABRE, GRIN2C, GRIN2A AR 4592/4885RAF1 2349/4885MAP2K1 3186/4885
US-12139473-B2 Substituted-N-heteroaryl compounds and uses thereof SCN3A, KCND3, GRIN3A AR 2466/4885RAF1 1163/4885MAP2K1 2310/4885

“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.