SCHEMBL21610134

SCHEMBL21610134

CC[C@@H](N)C(=O)Nc1ccnc(Oc2ccc(C)c(OC)c2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 5/20 0.44
▸ RIOK2 Q9BVS4 5/20 0.39
▸ GSK3A P49840 2/20 0.39
▸ MAPK10 P53779 2/20 0.39
▸ TAS1R3 Q7RTX0 1/20 0.39
▸ TAS1R1 Q7RTX1 1/20 0.39
▸ AAK1 Q2M2I8 3/20 0.39
▸ MAPT P10636 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ USP2 O75604 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ KMO O15229 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
SCHEMBL21610137 1.00 ADORA3 (0.44) ADORA3RIOK2GSK3AMAPK10TAS1R3
SCHEMBL21580658 0.87 RIOK2 (0.45) ADORA3RIOK2GSK3AMAPK10TAS1R3
SCHEMBL21610148 0.84 KDR (0.41) ADORA3TAS1R3TAS1R1AAK1MAPT
SCHEMBL21610150 0.84 KDR (0.41) ADORA3TAS1R3TAS1R1AAK1MAPT
SCHEMBL21611234 0.82 SCN9A (0.42) ADORA3TAS1R3TAS1R1AAK1MAPT
SCHEMBL21610277 0.81 RAF1 (0.47) ADORA3AAK1
SCHEMBL21610275 0.81 RAF1 (0.47) ADORA3AAK1
SCHEMBL21580662 0.79 NPC1 (0.46) ADORA3TAS1R3TAS1R1MAPTNPC1
SCHEMBL17549697 0.79 AAK1 (0.48) AAK1ALDH1A1
Trifluoroacetic Acid SCHEMBL21580718 0.78 ADORA3 (0.40) ADORA3AAK1MAPTNPC1RAB9A

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 ADORA3 1506/4885RIOK2 4576/4885GSK3A 390/4885
US-12139473-B2 Substituted-N-heteroaryl compounds and uses thereof SCN3A, KCND3, GRIN3A ADORA3 648/4885RIOK2 4212/4885GSK3A 274/4885

“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.

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