SCHEMBL6133489

SCHEMBL6133489

CC(C)n1nc(-c2sc(NC(=O)c3cccc(F)c3)nc2-c2ccccc2)ccc1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.50
ADORA1 P30542 5/20 0.50
GRM5 P41594 1/20 0.46
KMT2A Q03164 6/20 0.45
ALDH1A1 P00352 5/20 0.45
MEN1 O00255 3/20 0.45
KDM4E B2RXH2 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
MAPT P10636 2/20 0.45
HTT P42858 2/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
ADORA3 P0DMS8 4/20 0.45
RXFP1 Q9HBX9 2/20 0.44
NPC1 O15118 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44

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
SCHEMBL6133303 0.91 ADORA2A (0.60) ADORA2AADORA1KMT2AALDH1A1MEN1
SCHEMBL6133216 0.90 ADORA2A (0.51) ADORA2AADORA1GRM5KMT2AALDH1A1
SCHEMBL6133257 0.90 SMN1; SMN2 (0.56) ADORA2AADORA1KMT2AALDH1A1MEN1
SCHEMBL6133159 0.90 ADORA2A (0.53) ADORA2AADORA1KMT2AALDH1A1MEN1
SCHEMBL6133367 0.90 ADORA1 (0.50) ADORA2AADORA1GRM5KMT2AALDH1A1
SCHEMBL6134458 0.89 ADORA2A (0.48) ADORA2AADORA1KMT2AALDH1A1KDM4E
SCHEMBL6133287 0.88 ADORA1 (0.49) ADORA2AADORA1KMT2AALDH1A1MAPT
SCHEMBL6133305 0.85 ADORA2A (0.47) ADORA2AADORA1KMT2AALDH1A1KDM4E
SCHEMBL6133424 0.85 ADORA2A (0.51) ADORA2AADORA1GRM5KMT2AALDH1A1
SCHEMBL6133733 0.85 NPC1 (0.56) ADORA2AADORA1GRM5KMT2AALDH1A1

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 ADORA2A 635/4885ADORA1 243/4885GRM5 799/4885

“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.