SCHEMBL23417847

SCHEMBL23417847

Cc1nc2cc(C(=O)Nc3nc(-c4ccccn4)cs3)ccc2n1C

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 9/20 0.66
KDM4A O75164 4/20 0.62
KDM4B O94953 4/20 0.62
KDM5B Q9UGL1 4/20 0.62
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
TDP1 Q9NUW8 2/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
GRM1 Q13255 1/20 0.60
HTT P42858 2/20 0.59
KDM5C P41229 2/20 0.59
NPC1 O15118 2/20 0.58
MAPK1 P28482 2/20 0.58
RAB9A P51151 2/20 0.58
L3MBTL1 Q9Y468 3/20 0.57
POLB P06746 2/20 0.57
LMNA P02545 1/20 0.57

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
SCHEMBL24919461 0.88 ADORA3 (0.62) ADORA3KDM4AKDM4BKDM5BKDM4E
SCHEMBL29616747 0.86 ADORA3 (0.57) ADORA3KDM4AKDM4BKDM5BKDM4E
SCHEMBL15173226 0.86 ADORA3 (0.57) ADORA3KDM4AKDM4BKDM5BKDM4E
SCHEMBL22862012 0.85 ADORA3 (0.64) ADORA3KDM4AKDM4BKDM5BKDM4E
SCHEMBL23417815 0.85 ADORA3 (0.56) ADORA3KDM4AKDM4BKDM5BKDM4E
SCHEMBL23417740 0.85 ADORA3 (0.56) ADORA3KDM4AKDM4BKDM5BKDM4E
SCHEMBL26421517 0.84 ADORA3 (0.55) ADORA3KDM4AKDM4BKDM5BKDM4E
SCHEMBL23418017 0.84 ADORA3 (0.55) ADORA3KDM4AKDM4BKDM5BKDM4E
SCHEMBL26435366 0.82 ADORA3 (0.55) ADORA3KDM4AKDM4BKDM5BKDM4E
SCHEMBL26421519 0.82 ADORA3 (0.52) ADORA3KDM4AKDM4BKDM5BKDM4E

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-20230330240-A1 TECHNOLOGIES FOR PREVENTING OR TREATING INFECTIONS BIOHAVEN THERAPEUTICS LTD (US) 2023-10-19 US disclosed
US-20230028880-A1 CD38-BINDING AGENTS AND USES THEREOF KLEO PHARMACEUTICALS, INC. 2023-01-26 US disclosed
WO-2021102052-A1 DIRECTED CONJUGATION TECHNOLOGIES KLEO PHARMACEUTICALS, INC. (US) 2021-05-27 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-20230028880-A1 CD38-BINDING AGENTS AND USES THEREOF CD38, CD47, CD2 ADORA3 2306/4885KDM4A 610/4885KDM4B 1010/4885
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.