SCHEMBL30003135

SCHEMBL30003135

Cc1cccc2nc(N)sc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.56
ALDH1A1 P00352 3/20 0.52
CYP3A4 P08684 3/20 0.46
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
ASH1L Q9NR48 1/20 0.44
MAPT P10636 3/20 0.43
RAB9A P51151 2/20 0.43
HTT P42858 1/20 0.40
TGFBR1 P36897 1/20 0.39
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
ACHE P22303 1/20 0.37
BACE1 P56817 1/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL289210 1.00 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1CYP3A4TP53TSHR
SCHEMBL7958840 0.79 RAB9A (0.49) SMN1; SMN2ALDH1A1TP53MAPTRAB9A
SCHEMBL5260809 0.79 ASH1L (0.46) SMN1; SMN2ALDH1A1ASH1LMAPTRAB9A
SCHEMBL31063715 0.79 RAB9A (0.49) SMN1; SMN2ALDH1A1TP53MAPTRAB9A
SCHEMBL74889 0.78 PDPK1 (0.53) SMN1; SMN2ALDH1A1ASH1LMAPTRAB9A
SCHEMBL24425276 0.77 ASH1L (0.42) SMN1; SMN2ALDH1A1CYP3A4TP53TSHR
SCHEMBL2136849 0.77 IDO1 (0.55) SMN1; SMN2ALDH1A1MAPTRAB9AHTT
SCHEMBL23421550 0.77 ASH1L (0.42) SMN1; SMN2ALDH1A1CYP3A4TP53TSHR
SCHEMBL84829 0.77 CYP3A4 (0.57) ALDH1A1CYP3A4ASH1LMAPTRAB9A
SCHEMBL2747888 0.76 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1ASH1LMAPTRAB9A

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-20240140957-A1 BRIDGED COMPOUNDS AS KRAS G12D INHIBITOR AND DEGRADER AND THE USE THEREOF BEONE MEDICINES I GMBH (CH) 2024-05-02 US disclosed
CN-115232144-B Nitrogen-containing condensed ring derivative, pharmaceutical composition, and preparation method and application thereof 长春金赛药业有限责任公司 2024-04-02 CN disclosed
CN-115232144-A Nitrogen-containing fused ring derivative, pharmaceutical composition, preparation method and application thereof 长春金赛药业有限责任公司 2022-10-25 CN 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-20240140957-A1 BRIDGED COMPOUNDS AS KRAS G12D INHIBITOR AND DEGRADER AND THE USE THEREOF KRAS, NRAS, G3BP1 SMN1; SMN2 1542/4885ALDH1A1 3389/4885CYP3A4 3061/4885

“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.