SCHEMBL24090502

SCHEMBL24090502

CC(=O)Nc1nc2c(s1)[C@@H](CS)CCC2

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
DYRK1A Q13627 3/20 0.37
ADORA1 P30542 1/20 0.37
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 3/20 0.35
HSD17B10 Q99714 1/20 0.35
HPGD P15428 3/20 0.35
ALDH1A1 P00352 2/20 0.35
PARP1 P09874 1/20 0.34
PI4KB Q9UBF8 2/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL24075688 0.81 TSHR (0.41) TSHRDYRK1AADORA1NPC1RAB9A
SCHEMBL17610074 0.81 TSHR (0.41) TSHRDYRK1AADORA1NPC1RAB9A
SCHEMBL24075689 0.81 TSHR (0.41) TSHRDYRK1AADORA1NPC1RAB9A
SCHEMBL24075800 0.77 TSHR (0.39) TSHRDYRK1AADORA1NPC1RAB9A
SCHEMBL34467553 0.73 DYRK1A (0.46) DYRK1AADORA1NPC1RAB9ASMN1; SMN2
SCHEMBL13035816 0.69 TSHR (0.67) TSHRADORA1NPC1RAB9ASMN1; SMN2
SCHEMBL659214 0.69 TSHR (0.71) TSHRNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL31569426 0.69 DYRK1A (0.39) TSHRDYRK1AADORA1NPC1RAB9A
SCHEMBL14903802 0.68
SCHEMBL1770346 0.67 MAPT (0.42) TSHRNPC1RAB9ASMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210380591-A1 ANTHELMINTIC HETEROCYCLIC COMPOUNDS Boehringer Ingelheim Animal Health USA Inc. (US) 2021-12-09 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-20210380591-A1 ANTHELMINTIC HETEROCYCLIC COMPOUNDS AADAC, HNMT, HRH4 TSHR 4357/4885DYRK1A 4761/4885ADORA1 2860/4885

“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.