SCHEMBL21610197

SCHEMBL21610197

COc1cc(Oc2cc(Br)ncn2)ccc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 6/20 0.45
▸ EGFR P00533 6/20 0.45
▸ DRD1 P21728 1/20 0.39
▸ RAF1 P04049 1/20 0.37
▸ MAP4K4 O95819 1/20 0.36
▸ TRPA1 O75762 2/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ MAPK14 Q16539 1/20 0.35
▸ TNNI3K Q59H18 1/20 0.35
▸ PDGFRB P09619 1/20 0.35
▸ PDGFRA P16234 1/20 0.35
▸ CASP3 P42574 1/20 0.35
▸ SENP8 Q96LD8 1/20 0.35
▸ SENP7 Q9BQF6 1/20 0.35
▸ SENP6 Q9GZR1 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ NCOA1 Q15788 1/20 0.34
▸ NCOA3 Q9Y6Q9 1/20 0.34

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
SCHEMBL21610233 0.90 KDR (0.47) KDREGFRDRD1RAF1MAP4K4
SCHEMBL21610241 0.85 DRD1 (0.38) KDREGFRDRD1RAF1ALDH1A1
SCHEMBL21610177 0.84 KMO (0.44) KDREGFRALDH1A1SMN1; SMN2PDGFRB
SCHEMBL21610244 0.83 MRGPRX4 (0.40) KDREGFRRAF1ALDH1A1MAPK14
SCHEMBL21610229 0.82 RAF1 (0.39) KDREGFRDRD1RAF1ALDH1A1
SCHEMBL21580742 0.81 HSD17B14 (0.40) KDREGFRMAP4K4ALDH1A1KDM4E
SCHEMBL21610145 0.81 L3MBTL1 (0.49) KDRRAF1MAP4K4ALDH1A1SMN1; SMN2
SCHEMBL21610256 0.81 MAP4K4 (0.40) KDREGFRDRD1RAF1MAP4K4
SCHEMBL12826223 0.78 MAP4K4 (0.49) KDREGFRRAF1MAP4K4TRPA1
SCHEMBL21610190 0.77 KDM4E (0.51) KDREGFRALDH1A1SMN1; SMN2NPC1

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 4670/4885EGFR 4104/4885DRD1 305/4885
US-12139473-B2 Substituted-N-heteroaryl compounds and uses thereof SCN3A, KCND3, GRIN3A KDR 4056/4885EGFR 4143/4885DRD1 514/4885

“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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