SCHEMBL21610233

SCHEMBL21610233

COc1ccc(Oc2cc(Br)ncn2)cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 3/20 0.47
▸ EGFR P00533 3/20 0.47
▸ RAF1 P04049 2/20 0.41
▸ TRPA1 O75762 3/20 0.40
▸ PIK3CD O00329 1/20 0.38
▸ MAPK3 P27361 1/20 0.37
▸ DRD1 P21728 1/20 0.36
▸ SLC22A12 Q96S37 1/20 0.36
▸ MAP4K4 O95819 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ PDGFRB P09619 1/20 0.35
▸ PDGFRA P16234 1/20 0.35
▸ ERBB3 P21860 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ GCK P35557 1/20 0.35
▸ TUBB1 Q9H4B7 1/20 0.35

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
SCHEMBL21610197 0.90 KDR (0.45) KDREGFRRAF1TRPA1PIK3CD
SCHEMBL21610229 0.84 RAF1 (0.39) KDREGFRRAF1DRD1PDGFRB
SCHEMBL21610256 0.82 MAP4K4 (0.40) KDREGFRRAF1TRPA1DRD1
SCHEMBL21610241 0.81 DRD1 (0.38) KDREGFRRAF1DRD1LMNA
SCHEMBL21610177 0.80 KMO (0.44) KDREGFRSLC22A12PDGFRBPDGFRA
SCHEMBL21610145 0.80 L3MBTL1 (0.49) KDRRAF1MAP4K4LMNAHTT
SCHEMBL21610244 0.80 MRGPRX4 (0.40) KDREGFRRAF1ALDH1A1
SCHEMBL12826223 0.77 MAP4K4 (0.49) KDREGFRRAF1TRPA1MAP4K4
SCHEMBL21610132 0.77 KDR (0.38) KDRMAP4K4PDGFRBPDGFRA
SCHEMBL21610190 0.76 KDM4E (0.51) KDREGFRLMNARAB9AALDH1A1

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 4104/4885RAF1 2349/4885
US-12139473-B2 Substituted-N-heteroaryl compounds and uses thereof SCN3A, KCND3, GRIN3A KDR 4056/4885EGFR 4143/4885RAF1 1163/4885

“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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