SCHEMBL11686502

SCHEMBL11686502

Cc1cc(C)c2nc(N)sc2c1C

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.71
HSD17B10 Q99714 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.47
ALDH1A1 P00352 4/20 0.43
MAPT P10636 2/20 0.42
GAA P10253 2/20 0.42
MAPK1 P28482 1/20 0.42
CYP3A4 P08684 2/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
HPGD P15428 1/20 0.38
TDP1 Q9NUW8 1/20 0.36
NOS1 P29475 1/20 0.35
RAB9A P51151 1/20 0.35
LMNA P02545 1/20 0.35
BACE1 P56817 1/20 0.33
NSD1 Q96L73 1/20 0.33
CDC7 O00311 1/20 0.32
PLK4 O00444 1/20 0.32
IKBKB O14920 1/20 0.32

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
SCHEMBL14283722 0.83 HTT (0.65) HTTHSD17B10SMN1; SMN2ALDH1A1MAPT
SCHEMBL1266791 0.83 HTT (1.00) HTTHSD17B10SMN1; SMN2ALDH1A1MAPT
SCHEMBL14283719 0.83 HTT (0.65) HTTHSD17B10SMN1; SMN2ALDH1A1MAPT
SCHEMBL14308366 0.83 HTT (0.65) HTTHSD17B10SMN1; SMN2ALDH1A1MAPT
Hydrochloric Acid SCHEMBL5535871 0.82 HTT (0.97) HTTHSD17B10SMN1; SMN2ALDH1A1MAPT
SCHEMBL5532426 0.80 HTT (0.61) HTTHSD17B10SMN1; SMN2ALDH1A1MAPT
SCHEMBL12109854 0.79 HTT (0.46) HTTHSD17B10SMN1; SMN2ALDH1A1MAPT
SCHEMBL14401622 0.79 HTT (0.59) HTTHSD17B10SMN1; SMN2ALDH1A1MAPT
SCHEMBL27051943 0.78 HTT (0.54) HTTHSD17B10SMN1; SMN2ALDH1A1MAPT
SCHEMBL24176029 0.76 HTT (0.51) HTTHSD17B10SMN1; SMN2ALDH1A1MAPT

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-20240025918-A1 KRAS G12D Inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-01-25 US disclosed
US-4051084-A BENZOTHIAZOLE BAYER AKTIENGESELLSCHAFT (DT) 1977-09-27 US disclosed
US-4039526-A PRINTING, POLYACRYLONITRILE, POLYESTERS, POLYAMIDES BAYER AKTIENGESELLSCHAFT (DT) 1977-08-02 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 HTT 1987/4885HSD17B10 3313/4885SMN1; 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.