SCHEMBL21610132

SCHEMBL21610132

Fc1cc(Oc2cc(Br)ncn2)ccc1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 10/20 0.38
▸ CYP11B2 P19099 4/20 0.38
▸ CYP11B1 P15538 3/20 0.38
▸ THRB P10828 1/20 0.37
▸ BRAF P15056 4/20 0.37
▸ FLT1 P17948 1/20 0.37
▸ FLT4 P35916 1/20 0.37
▸ MAPK14 Q16539 1/20 0.36
▸ TNNI3K Q59H18 1/20 0.36
▸ TRPV1 Q8NER1 1/20 0.36
▸ MAP4K4 O95819 1/20 0.36
▸ CSF1R P07333 1/20 0.35
▸ PDGFRB P09619 1/20 0.35
▸ PDGFRA P16234 1/20 0.35
▸ KCNH2 Q12809 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
SCHEMBL21610244 0.82 MRGPRX4 (0.40) KDRTHRBBRAFMAPK14TNNI3K
SCHEMBL21610256 0.79 MAP4K4 (0.40) KDRBRAFMAPK14TNNI3KMAP4K4
SCHEMBL6938479 0.77 KDR (0.48) KDRBRAFFLT1FLT4TRPV1
SCHEMBL21610233 0.77 KDR (0.47) KDRMAP4K4PDGFRBPDGFRA
SCHEMBL21610197 0.75 KDR (0.45) KDRMAPK14TNNI3KMAP4K4PDGFRB
SCHEMBL7885594 0.74 KDR (0.46) KDRBRAFFLT1FLT4TRPV1
SCHEMBL8773800 0.71 KDR (0.48) KDRBRAFFLT1FLT4KCNH2
SCHEMBL7781852 0.71 KDR (0.48) KDRBRAFFLT1FLT4KCNH2
SCHEMBL8439101 0.71 KDR (0.44) KDRBRAFFLT1FLT4TRPV1
SCHEMBL21610170 0.71 HAO1 (0.47) —

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 4670/4885CYP11B2 881/4885CYP11B1 1498/4885
US-12139473-B2 Substituted-N-heteroaryl compounds and uses thereof SCN3A, KCND3, GRIN3A KDR 4056/4885CYP11B2 2376/4885CYP11B1 2418/4885

“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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