SCHEMBL21610148

SCHEMBL21610148

CC[C@@H](N)C(=O)Nc1nccc(Oc2ccc(C)c(OC)c2)n1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 9/20 0.41
▸ AAK1 Q2M2I8 3/20 0.40
▸ ADORA3 P0DMS8 1/20 0.39
▸ TAS1R3 Q7RTX0 1/20 0.38
▸ TAS1R1 Q7RTX1 1/20 0.38
▸ MET P08581 1/20 0.38
▸ MAPT P10636 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ KMO O15229 1/20 0.37
▸ GRM4 Q14833 1/20 0.37
▸ PTK2 Q05397 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
SCHEMBL21610150 1.00 KDR (0.41) KDRAAK1ADORA3TAS1R3TAS1R1
SCHEMBL21580658 0.84 RIOK2 (0.45) KDRAAK1ADORA3TAS1R3TAS1R1
SCHEMBL21611233 0.84 KDR (0.42) KDRMETKMOGRM4PTK2
SCHEMBL21610134 0.84 ADORA3 (0.44) AAK1ADORA3TAS1R3TAS1R1MAPT
SCHEMBL21610137 0.84 ADORA3 (0.44) AAK1ADORA3TAS1R3TAS1R1MAPT
SCHEMBL20906310 0.82 AAK1 (0.48) AAK1MAPT
SCHEMBL21610277 0.82 RAF1 (0.47) KDRAAK1ADORA3
SCHEMBL1983127 0.82 AAK1 (0.48) AAK1MAPT
SCHEMBL21610275 0.82 RAF1 (0.47) KDRAAK1ADORA3
SCHEMBL1978742 0.82 AAK1 (0.48) AAK1MAPT

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 KDR 4670/4885AAK1 2592/4885ADORA3 1506/4885
US-12139473-B2 Substituted-N-heteroaryl compounds and uses thereof SCN3A, KCND3, GRIN3A KDR 4056/4885AAK1 610/4885ADORA3 648/4885

“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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