SCHEMBL6133930

SCHEMBL6133930

CC(C)n1nc(-c2sc(C(N)=O)nc2-c2ccc(F)cc2)ccc1=O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.42
TGFBR1 P36897 11/20 0.41
TGFBR2 P37173 7/20 0.41
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
PTGS2 P35354 1/20 0.37
HDAC6 Q9UBN7 1/20 0.36
TNIK Q9UKE5 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
BMPR1B O00238 1/20 0.34
BMPR1A P36894 1/20 0.34
ACVRL1 P37023 1/20 0.34
ACVR1 Q04771 1/20 0.34
CSNK1D P48730 1/20 0.34
CSNK1E P49674 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
SCHEMBL6133425 0.89 RET (0.41) RETKDM4EALDH1A1
SCHEMBL6134790 0.89 TGFBR1 (0.41) RETTGFBR1TGFBR2ADORA2AADORA1
SCHEMBL6133334 0.88 HPGDS (0.38) RETCSNK1DCSNK1E
SCHEMBL6133040 0.88 GABRA5 (0.40) RETTGFBR1TGFBR2ADORA2AADORA1
SCHEMBL6133744 0.86 HDAC6 (0.38) RETTGFBR1TGFBR2ADORA2AADORA1
SCHEMBL6133158 0.85 PTGS2 (0.56) TGFBR1PTGS2KDM4EALDH1A1HPGD
SCHEMBL6134033 0.84 TGFBR1 (0.48) RETTGFBR1TGFBR2ADORA2AADORA1
SCHEMBL6133269 0.84 HPGD (0.42) TGFBR1HDAC6KDM4EALDH1A1HPGD
SCHEMBL6923908 0.84 HDAC6 (0.35) RETTGFBR1TGFBR2ADORA2AADORA1
SCHEMBL6133569 0.84 HDAC6 (0.45) ADORA2AADORA1PTGS2HDAC6KDM4E

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 RET 105/4885TGFBR1 966/4885TGFBR2 903/4885

“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.