SCHEMBL25822912

SCHEMBL25822912

Brc1cc2sccc2cn1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.37
DYRK1A Q13627 1/20 0.34
KDM1A O60341 1/20 0.34
CHRNA7 P36544 1/20 0.34
CYP2A6 P11509 2/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
PPARG P37231 1/20 0.32
HTT P42858 1/20 0.32
NCOA2 Q15596 1/20 0.32
NCOA1 Q15788 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32
CYP19A1 P11511 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL8114596 0.83 DYRK1A (0.38) GRM4DYRK1AKDM1ACHRNA7CYP2A6
SCHEMBL27265241 0.75 CYP2A6 (0.37) GRM4DYRK1AKDM1ACHRNA7CYP2A6
SCHEMBL17464091 0.75 KDM1A (0.37) GRM4DYRK1AKDM1ACHRNA7CYP2A6
SCHEMBL11724831 0.75 CYP2A6 (0.47) GRM4DYRK1AKDM1ACHRNA7CYP2A6
SCHEMBL26781843 0.71 GRM4 (0.35) GRM4DYRK1AKDM1ACHRNA7CYP2A6
SCHEMBL12749945 0.71 KDM1A (0.35) GRM4DYRK1AKDM1ACHRNA7CYP2A6
SCHEMBL27096937 0.71 GRM4 (0.37) GRM4DYRK1AKDM1ACHRNA7CYP2A6
SCHEMBL194366 0.71 GRM4 (0.35) GRM4DYRK1AKDM1ACHRNA7CYP2A6
SCHEMBL843122 0.69 CHRNA7 (0.47) CHRNA7KDM4EALDH1A1MAPT
SCHEMBL11730253 0.69 NPC1 (0.49) GRM4KDM1AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118234733-A Five-membered heterocyclic pyrimidine derivatives and application thereof as pan KRAS mutation inhibitor 思路迪生物医药(上海)有限公司 2024-06-21 CN disclosed
US-20230209989-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME LG DISPLAY CO., LTD. (KR) 2023-06-29 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 (1 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-20230209989-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME DDT, L3MBTL1, LAGE3 GRM4 676/4885DYRK1A 2032/4885KDM1A 2395/4885

“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.