SCHEMBL6134884

SCHEMBL6134884

CC(C)n1nc(-c2sc(N(C)C)nc2-c2ccccc2)ccc1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
HPGD P15428 1/20 0.40
P2RY6 Q15077 1/20 0.37
TP53 P04637 1/20 0.36
ADORA2A P29274 2/20 0.35
PDE1A P54750 1/20 0.34
PDE1B Q01064 1/20 0.34
PDE1C Q14123 1/20 0.34
BMPR1B O00238 1/20 0.34
BMPR1A P36894 1/20 0.34
TGFBR1 P36897 1/20 0.34
ACVRL1 P37023 1/20 0.34
ACVR1 Q04771 1/20 0.34
MERTK Q12866 1/20 0.34
POLB P06746 2/20 0.34
XIAP P98170 2/20 0.33
CKS1B P61024 1/20 0.33
SKP1 P63208 1/20 0.33
SKP2 Q13309 1/20 0.33
ADAMTS5 Q9UNA0 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
SCHEMBL6133209 0.88 TP53 (0.39) ALDH1A1HPGDP2RY6TP53ADORA2A
SCHEMBL7171945 0.83 P2RY6 (0.39) ALDH1A1P2RY6TP53ADORA2APDE1A
SCHEMBL6134226 0.83 ALDH1A1 (0.51) ALDH1A1HPGDP2RY6TP53TGFBR1
Bromide SCHEMBL6133333 0.82 ALDH1A1 (0.50) ALDH1A1HPGDP2RY6TP53BMPR1B
SCHEMBL6133645 0.82 TP53 (0.38) ALDH1A1HPGDP2RY6TP53POLB
SCHEMBL6134205 0.81 XIAP (0.43) ALDH1A1P2RY6TP53ADORA2AXIAP
SCHEMBL6133228 0.81 XIAP (0.48) ALDH1A1TP53ADORA2AXIAPMAPT
SCHEMBL6133401 0.81 XIAP (0.42) ALDH1A1P2RY6TP53ADORA2AMERTK
SCHEMBL6133213 0.81 TP53 (0.38) ALDH1A1HPGDP2RY6TP53ADORA2A
Bromide SCHEMBL6134102 0.81 XIAP (0.42) ALDH1A1P2RY6TP53ADORA2AXIAP

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-20050004134-A1 Thiazole derivative and pharmaceutical use thereof ASTELLAS PHARMA INC. (JP) 2005-01-06 US disclosed
EP-1441732-A2 THIAZOLE DERIVATIVE AND PHARMACEUTICAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-04 EP disclosed
WO-2003039451-A2 THIAZOLE PYRIDAZINONES AS ADENOSINE ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-05-15 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-20050004134-A1 Thiazole derivative and pharmaceutical use thereof MC2R, CYP2C9, OXTR ALDH1A1 630/4885HPGD 1177/4885P2RY6 400/4885

“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.