SCHEMBL22753457

SCHEMBL22753457

CC(C)n1cc(-c2cc(-c3cn(C)nn3)cc(-c3cn(C(C)C)nn3)c2)nn1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 9/20 0.39
▸ CYP19A1 P11511 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.34
▸ KDM4A O75164 1/20 0.34
▸ KDM5C P41229 1/20 0.34
▸ KDM4C Q9H3R0 1/20 0.34
▸ KDM2A Q9Y2K7 1/20 0.34
▸ KDM3A Q9Y4C1 1/20 0.34
▸ CYP1B1 Q16678 1/20 0.33
▸ IDH1 O75874 1/20 0.32
▸ GSK3B P49841 4/20 0.32
▸ DYRK1A Q13627 4/20 0.32
▸ WNT1 P04628 3/20 0.32
▸ PCSK9 Q8NBP7 1/20 0.32
▸ BRD4 O60885 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA9 Q16790 1/20 0.32

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
SCHEMBL20614507 1.00 LRRK2 (0.39) LRRK2CYP19A1KDM4EKDM4AKDM5C
SCHEMBL23381117 0.91 CYP19A1 (0.43) LRRK2CYP19A1CYP1B1CA2CA9
SCHEMBL21955600 0.84 KDM4E (0.41) KDM4EKDM4AKDM5CKDM4CKDM2A
SCHEMBL22434761 0.78 KDM4E (0.38) LRRK2CYP19A1KDM4EKDM5CKDM4C
SCHEMBL23008407 0.77 LRRK2 (0.37) LRRK2CYP19A1KDM4EGSK3BDYRK1A
SCHEMBL23008634 0.77 LRRK2 (0.39) LRRK2CYP19A1IDH1GSK3BDYRK1A
SCHEMBL19700923 0.76 CYP1B1 (0.59) LRRK2CYP19A1CYP1B1
SCHEMBL9963176 0.74 CYP19A1 (0.66) CYP19A1CA2CA9
SCHEMBL13872400 0.73 HSD17B1 (0.44) CYP19A1KDM4EKDM4AKDM5CKDM4C
SCHEMBL11965518 0.73 FLT3 (0.46) CYP19A1KDM4EKDM5CCA2CA9

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-11241473-B2 Bicyclic peptide ligands and uses thereof BICYCLETX LIMITED (GB) 2022-02-08 — — US disclosed
US-20210046145-A1 BICYCLIC PEPTIDE LIGANDS AND USES THEREOF BICYCLETX LIMITED (GB) 2021-02-18 — — US disclosed
US-10857196-B2 Bicyclic peptide ligands and uses thereof BICYCLETX LIMITED (GB) 2020-12-08 — — US 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 (3 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-10857196-B2 Bicyclic peptide ligands and uses thereof VIP, NGLY1, BID LRRK2 1345/4885CYP19A1 2220/4885KDM4E 4848/4885
US-20210046145-A1 BICYCLIC PEPTIDE LIGANDS AND USES THEREOF VIP, NGLY1, BID LRRK2 1345/4885CYP19A1 2220/4885KDM4E 4848/4885
US-11241473-B2 Bicyclic peptide ligands and uses thereof VIP, NGLY1, BID LRRK2 1345/4885CYP19A1 2220/4885KDM4E 4848/4885

“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.

Send feedback