SCHEMBL17610074

SCHEMBL17610074

CC(=O)Nc1nc2c(s1)C(C)CCC2

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
NPC1 O15118 6/20 0.41
RAB9A P51151 6/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
DYRK1A Q13627 2/20 0.40
ADORA1 P30542 1/20 0.40
ALDH1A1 P00352 4/20 0.38
TP53 P04637 3/20 0.38
HSD17B10 Q99714 2/20 0.38
MAPT P10636 2/20 0.38
PKM P14618 1/20 0.37
STAT1 P42224 1/20 0.37
LMNA P02545 2/20 0.37
HPGD P15428 2/20 0.37
PI4KB Q9UBF8 2/20 0.37
POLB P06746 1/20 0.36
GAA P10253 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
SCHEMBL24075688 1.00 TSHR (0.41) TSHRNPC1RAB9ASMN1; SMN2DYRK1A
SCHEMBL24075689 1.00 TSHR (0.41) TSHRNPC1RAB9ASMN1; SMN2DYRK1A
SCHEMBL24075800 0.82 TSHR (0.39) TSHRNPC1RAB9ASMN1; SMN2DYRK1A
SCHEMBL3537366 0.81 NPC1 (0.35) TSHRNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL13314866 0.81 NPC1 (0.35) TSHRNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL24090502 0.81 TSHR (0.38) TSHRNPC1RAB9ASMN1; SMN2DYRK1A
Formic Acid SCHEMBL3538835 0.79 TSHR (0.34) TSHRNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL34467553 0.78 DYRK1A (0.46) NPC1RAB9ASMN1; SMN2DYRK1AADORA1
SCHEMBL31569426 0.75 DYRK1A (0.39) TSHRNPC1RAB9ASMN1; SMN2DYRK1A
SCHEMBL13035816 0.73 TSHR (0.67) TSHRNPC1RAB9ASMN1; SMN2ADORA1

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-10385069-B2 Imidazo[2,1-B]thiazole and 5,6-dihydroimidazo[2,1-B]thiazole derivatives useful as S100-inhibitors ACTIVE BIOTECH AB (SE) 2019-08-20 US disclosed
US-20180282348-A1 IMIDAZO[2,1-B]THIAZOLE AND 5,6-DIHYDROIMIDAZO[2,1-B]THIAZOLE DERIVATIVES USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2018-10-04 US disclosed
WO-2016042172-A1 IMIDAZO[2,1-B]THIAZOLE AND 5,6-DIHYDROIMIDAZO[2,1-B]THIAZOLE DERIVATIVES USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2016-03-24 WO 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 (2 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-20180282348-A1 IMIDAZO[2,1-B]THIAZOLE AND 5,6-DIHYDROIMIDAZO[2,1-B]THIAZOLE DERIVATIVES USEFUL AS S100-INHIBITORS S100B, S100P, S100A4 TSHR 2632/4885NPC1 2457/4885RAB9A 2262/4885
US-10385069-B2 Imidazo[2,1-B]thiazole and 5,6-dihydroimidazo[2,1-B]thiazole derivatives useful as S100-inhibitors S100B, S100P, S100A4 TSHR 2632/4885NPC1 2457/4885RAB9A 2262/4885

“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.