SCHEMBL21610164

SCHEMBL21610164

Cc1ccc(Oc2cc(Br)ncn2)cc1C#N

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 1/20 0.36
▸ DRD1 P21728 2/20 0.35
▸ AR P10275 8/20 0.35
▸ RAF1 P04049 2/20 0.35
▸ CYP19A1 P11511 1/20 0.34
▸ MAOA P21397 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ GCK P35557 1/20 0.34
▸ HAO1 Q9UJM8 2/20 0.33
▸ CASP3 P42574 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ SENP8 Q96LD8 1/20 0.33
▸ SENP7 Q9BQF6 1/20 0.33
▸ SENP6 Q9GZR1 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL21610170 0.82 HAO1 (0.47) RAF1HAO1CASP3SMN1; SMN2SENP8
SCHEMBL21610256 0.78 MAP4K4 (0.40) KDRDRD1RAF1HAO1CASP3
SCHEMBL21610144 0.78 RAF1 (0.39) KDRRAF1HAO1CASP3SMN1; SMN2
SCHEMBL10352426 0.78 KDR (0.34) KDRDRD1ARRAF1CYP19A1
SCHEMBL21610146 0.78 ALDH1A1 (0.40) ARRAF1HAO1CASP3SMN1; SMN2
SCHEMBL21610241 0.77 DRD1 (0.38) KDRDRD1ARRAF1HAO1
SCHEMBL21610231 0.76 SMN1; SMN2 (0.37) KDRRAF1HAO1CASP3SMN1; SMN2
SCHEMBL21610188 0.76 SMN1; SMN2 (0.52) KDRCASP3SMN1; SMN2SENP8SENP7
SCHEMBL10352806 0.76 CYP19A1 (0.51) KDRDRD1ARCYP19A1MAOA
SCHEMBL21610238 0.76 RET (0.37) KDR

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 4670/4885DRD1 305/4885AR 4592/4885
US-12139473-B2 Substituted-N-heteroaryl compounds and uses thereof SCN3A, KCND3, GRIN3A KDR 4056/4885DRD1 514/4885AR 2466/4885

“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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