SCHEMBL27051995

SCHEMBL27051995

CCc1c(C)cc2nc(N)sc2c1C(C)C

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.47
ALDH1A1 P00352 2/20 0.42
TP53 P04637 2/20 0.42
CYP3A4 P08684 2/20 0.42
TSHR P16473 2/20 0.42
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
SCN4A P35499 1/20 0.38
BACE1 P56817 1/20 0.36
HTT P42858 1/20 0.35
GAA P10253 2/20 0.35
MAPT P10636 2/20 0.34
HSD17B10 Q99714 4/20 0.33
DRD2 P14416 2/20 0.31
KCNH2 Q12809 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.30

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
SCHEMBL27052005 0.85 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1TP53CYP3A4TSHR
SCHEMBL27051978 0.84 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1TP53CYP3A4TSHR
SCHEMBL27051986 0.81 HSD17B10 (0.42) SMN1; SMN2ALDH1A1TP53CYP3A4TSHR
SCHEMBL27051994 0.77 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1TP53CYP3A4TSHR
SCHEMBL27051971 0.75 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1TP53CYP3A4TSHR
SCHEMBL27051993 0.75 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1TP53CYP3A4TSHR
SCHEMBL27052004 0.73 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1TP53CYP3A4TSHR
SCHEMBL27051907 0.73 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1TP53CYP3A4TSHR
SCHEMBL27051980 0.73 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1TP53CYP3A4TSHR
SCHEMBL27051748 0.71 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1TP53CYP3A4TSHR

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
US-20240025918-A1 KRAS G12D Inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-01-25 US disclosed
US-20240025918-A1 KRAS G12D Inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-01-25 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-20240025918-A1 KRAS G12D Inhibitors KRAS, NRAS, HRAS SMN1; SMN2 3857/4885ALDH1A1 3208/4885TP53 5/4885

“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.