SCHEMBL6133216

SCHEMBL6133216

Cc1cccc(C(=O)Nc2nc(-c3ccccc3)c(-c3ccc(=O)n(C(C)C)n3)s2)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 8/20 0.51
ADORA1 P30542 6/20 0.51
SCD O00767 1/20 0.49
ADORA3 P0DMS8 5/20 0.47
GRM5 P41594 1/20 0.46
MAPT P10636 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HTT P42858 1/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
RXFP1 Q9HBX9 1/20 0.45
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RORC P51449 1/20 0.44
KMT2A Q03164 1/20 0.44
XIAP P98170 1/20 0.43

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 0.92 ADORA2A (0.60) ADORA2AADORA1ADORA3MAPTALDH1A1
SCHEMBL6133489 0.90 ADORA2A (0.50) ADORA2AADORA1ADORA3GRM5MAPT
SCHEMBL6133367 0.90 ADORA1 (0.50) ADORA2AADORA1ADORA3GRM5MAPT
SCHEMBL6133287 0.88 ADORA1 (0.49) ADORA2AADORA1ADORA3MAPTALDH1A1
SCHEMBL6134458 0.88 ADORA2A (0.48) ADORA2AADORA1ADORA3MAPTALDH1A1
SCHEMBL6133768 0.87 KCNJ6 (0.46) ADORA2AADORA1MAPTALDH1A1HTT
SCHEMBL6134298 0.85 ADORA2A (0.53) ADORA2AADORA1ADORA3MAPTALDH1A1
SCHEMBL6133349 0.85 ADORA2A (0.53) ADORA2AADORA1ADORA3MAPTALDH1A1
SCHEMBL6133159 0.85 ADORA2A (0.53) ADORA2AADORA1ADORA3MAPTALDH1A1
SCHEMBL6133257 0.85 SMN1; SMN2 (0.56) ADORA2AADORA1ADORA3MAPTALDH1A1

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 243/4885SCD 2942/4885

“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.