SCHEMBL21580054

SCHEMBL21580054

O=C(NCc1cccc(OCc2ccccc2F)c1)c1cnc2ccccn12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 3/20 0.53
▸ DDR2 Q16832 3/20 0.53
▸ DDR1 Q08345 1/20 0.53
▸ CLK1 P49759 2/20 0.48
▸ PDGFRA P16234 1/20 0.45
▸ TGFBR1 P36897 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ PKM P14618 1/20 0.43
▸ TP53 P04637 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ KDM4E B2RXH2 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ RARA P10276 1/20 0.41
▸ RARB P10826 1/20 0.41
▸ RARG P13631 1/20 0.41
▸ GCK P35557 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ LMNA P02545 1/20 0.41

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
SCHEMBL21580097 0.89 SCN3A (0.51) KITDDR2DDR1CLK1PDGFRA
SCHEMBL21580039 0.82 TP53 (0.43) CLK1SMN1; SMN2TP53THRBKDM4E
SCHEMBL21580037 0.82 EGLN2 (0.43) CLK1SMN1; SMN2TP53THRBKDM4E
SCHEMBL21580032 0.80 ADORA2A (0.42) SMN1; SMN2TP53THRBKDM4EALDH1A1
SCHEMBL21580058 0.80 NPC1 (0.48) TP53THRBKDM4EALDH1A1HSD17B10
SCHEMBL21580073 0.80 PLAU (0.45) TGFBR1TP53THRBKDM4EALDH1A1
SCHEMBL21580059 0.77 F2 (0.42) SMN1; SMN2TP53THRBKDM4EALDH1A1
SCHEMBL21580049 0.77 NAMPT (0.49) SMN1; SMN2TP53THRBALDH1A1NPC1
SCHEMBL23691877 0.76 F2 (0.43) SMN1; SMN2TP53THRBKDM4EALDH1A1
SCHEMBL21580068 0.76 TP53 (0.42) TP53THRBKDM4EALDH1A1HSD17B10

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11384085-B2 Modulators of ion channel receptors and uses thereof BIONOMICS LIMITED (AU) 2022-07-12 — — US disclosed
US-20210230165-A1 MODULATORS OF ION CHANNEL RECEPTORS AND USES THEREOF BIONOMICS LIMITED (AU) 2021-07-29 — — US disclosed
WO-2019218025-A1 MODULATORS OF ION CHANNEL RECEPTORS AND USES THEREOF BIONOMICS LIMITED (AU) 2019-11-21 — — 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-20210230165-A1 MODULATORS OF ION CHANNEL RECEPTORS AND USES THEREOF TRPV1, TRPM8, TRPV2 KIT 2945/4885DDR2 1939/4885DDR1 2325/4885
US-11384085-B2 Modulators of ion channel receptors and uses thereof TRPV1, TRPM8, TRPV2 KIT 2945/4885DDR2 1939/4885DDR1 2325/4885

“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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