SCHEMBL22862012

SCHEMBL22862012

Cn1cnc2cc(C(=O)Nc3nc(-c4ccccn4)cs3)ccc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 9/20 0.64
KDM4A O75164 4/20 0.64
KDM4B O94953 4/20 0.64
KDM5B Q9UGL1 4/20 0.64
GRM1 Q13255 1/20 0.61
KDM4E B2RXH2 5/20 0.60
MAPT P10636 4/20 0.60
MEN1 O00255 3/20 0.60
ALDH1A1 P00352 3/20 0.60
KMT2A Q03164 3/20 0.60
L3MBTL1 Q9Y468 3/20 0.60
HTT P42858 2/20 0.60
NPC1 O15118 2/20 0.60
MAPK1 P28482 2/20 0.60
RAB9A P51151 2/20 0.60
POLB P06746 2/20 0.60
LMNA P02545 1/20 0.60
TP53 P04637 1/20 0.60
HPGD P15428 1/20 0.60
TSHR P16473 1/20 0.60

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
SCHEMBL24918932 0.88 ADORA3 (0.61) ADORA3KDM4AKDM4BKDM5BGRM1
SCHEMBL26428366 0.87 ADORA3 (0.60) ADORA3KDM4AKDM4BKDM5BGRM1
SCHEMBL15183057 0.86 ADORA3 (0.56) ADORA3KDM4AKDM4BKDM5BGRM1
SCHEMBL23417847 0.85 ADORA3 (0.66) ADORA3KDM4AKDM4BKDM5BGRM1
SCHEMBL19002444 0.82 ADORA3 (0.73) ADORA3KDM4AKDM4BKDM5BGRM1
SCHEMBL29616747 0.81 ADORA3 (0.57) ADORA3KDM4AKDM4BKDM5BGRM1
SCHEMBL15173226 0.81 ADORA3 (0.57) ADORA3KDM4AKDM4BKDM5BGRM1
SCHEMBL24919461 0.81 ADORA3 (0.62) ADORA3KDM4AKDM4BKDM5BGRM1
SCHEMBL15183138 0.81 ADORA3 (0.52) ADORA3KDM4AKDM4BKDM5BGRM1
SCHEMBL15175064 0.81 ADORA3 (0.50) ADORA3KDM4AKDM4BKDM5BGRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230330240-A1 TECHNOLOGIES FOR PREVENTING OR TREATING INFECTIONS BIOHAVEN THERAPEUTICS LTD (US) 2023-10-19 US disclosed
US-20230128688-A1 DIRECTED CONJUGATION TECHNOLOGIES KLEO PHARMACEUTICALS, INC. 2023-04-27 US disclosed
WO-2022246086-A1 ANTIBODY DRUG CONJUGATES USING MATES TECHNOLOGY FOR DELIVERING CYTOTOXIC AGENTS BIOHAVEN THERAPEUTICS LTD. (US) 2022-11-24 WO disclosed
WO-2021102052-A1 DIRECTED CONJUGATION TECHNOLOGIES KLEO PHARMACEUTICALS, INC. (US) 2021-05-27 WO disclosed
WO-2021003050-A2 CD38-BINDING AGENTS AND USES THEREOF KLEO PHARMACEUTICALS, INC. (US) 2021-01-07 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-20230128688-A1 DIRECTED CONJUGATION TECHNOLOGIES CD2BP2, CD2, CD47 ADORA3 4024/4885KDM4A 656/4885KDM4B 726/4885
US-20230330240-A1 TECHNOLOGIES FOR PREVENTING OR TREATING INFECTIONS HAVCR2, ACE2, EPCAM ADORA3 2334/4885KDM4A 2005/4885KDM4B 1566/4885

“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.