SCHEMBL27052017

SCHEMBL27052017

CC(C)c1c(C(F)(F)F)cc2nc(N)sc2c1C(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.41
RAB9A P51151 5/20 0.39
NPC1 O15118 4/20 0.39
SCN4A P35499 3/20 0.39
EPHX2 P34913 1/20 0.39
MPL P40238 5/20 0.36
TP53 P04637 2/20 0.33
CYP3A4 P08684 2/20 0.33
KCNH2 Q12809 1/20 0.33
BACE1 P56817 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
GMNN O75496 1/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL27051989 0.88 HSD17B10 (0.44) HSD17B10HPGDSMN1; SMN2RAB9ANPC1
SCHEMBL27051991 0.87 HSD17B10 (0.43) HSD17B10HPGDSMN1; SMN2RAB9ANPC1
SCHEMBL27051986 0.85 HSD17B10 (0.42) HSD17B10HPGDSMN1; SMN2RAB9ANPC1
SCHEMBL27052015 0.85 HSD17B10 (0.42) HSD17B10HPGDSMN1; SMN2RAB9ANPC1
SCHEMBL27051987 0.84 HPGD (0.41) HSD17B10HPGDSMN1; SMN2RAB9ANPC1
SCHEMBL27052016 0.83 HSD17B10 (0.40) HSD17B10HPGDSMN1; SMN2RAB9ANPC1
SCHEMBL27051981 0.79 SMN1; SMN2 (0.40) HSD17B10HPGDSMN1; SMN2RAB9ANPC1
SCHEMBL27051971 0.79 SMN1; SMN2 (0.46) HSD17B10HPGDSMN1; SMN2RAB9ANPC1
SCHEMBL27052011 0.78 SMN1; SMN2 (0.39) HSD17B10HPGDSMN1; SMN2RAB9ANPC1
SCHEMBL27052004 0.78 SMN1; SMN2 (0.46) SMN1; SMN2RAB9ANPC1SCN4ATP53

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 HSD17B10 3313/4885HPGD 397/4885SMN1; SMN2 3857/4885

“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.