SCHEMBL17620702

SCHEMBL17620702

CCOC(=O)c1cn2c3c(sc2n1)C1C(C3)C1(C)C

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.37
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
CYP1A2 P05177 1/20 0.35
GABRA2 P47869 3/20 0.35
GABRB2 P47870 3/20 0.35
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
RXFP1 Q9HBX9 1/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 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
SCHEMBL17620862 0.83 HCAR2 (0.35) ALDH1A1HPGDRAB9A
SCHEMBL17621032 0.76 GAA (0.43) GAAIRAK4KDM4EALDH1A1POLB
SCHEMBL17620690 0.74 GAA (0.42) GAAIRAK4KDM4EALDH1A1POLB
SCHEMBL17620687 0.74 GAA (0.42) GAAIRAK4KDM4EALDH1A1POLB
SCHEMBL17620685 0.74 GAA (0.42) GAAIRAK4KDM4EALDH1A1POLB
SCHEMBL17620688 0.74 ALDH1A1 (0.42) GAAIRAK4KDM4EALDH1A1POLB
SCHEMBL17621022 0.74 GAA (0.42) GAAIRAK4KDM4EALDH1A1POLB
SCHEMBL20518805 0.74 GAA (0.42) GAAIRAK4KDM4EALDH1A1POLB
SCHEMBL17620703 0.73 GAA (0.41) GAAIRAK4KDM4EALDH1A1POLB
SCHEMBL2928930 0.72 KDM4E (0.50) GAAIRAK4KDM4EALDH1A1POLB

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-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
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 (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-10385069-B2 Imidazo[2,1-B]thiazole and 5,6-dihydroimidazo[2,1-B]thiazole derivatives useful as S100-inhibitors S100B, S100P, S100A4 GAA 3238/4885IRAK4 170/4885KDM4E 3946/4885

“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.