SCHEMBL6133509

SCHEMBL6133509

Cn1nc(-c2sc(C(=O)NCc3ccccn3)nc2-c2ccccc2)ccc1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
ALDH1A1 P00352 10/20 0.48
MAPK1 P28482 3/20 0.48
LMNA P02545 6/20 0.47
HTT P42858 3/20 0.47
NAMPT P43490 1/20 0.47
RAB9A P51151 4/20 0.47
NPC1 O15118 3/20 0.47
POLB P06746 1/20 0.47
KDM4E B2RXH2 6/20 0.46
KMT2A Q03164 5/20 0.46
MEN1 O00255 3/20 0.46
USP2 O75604 2/20 0.46
HSD17B10 Q99714 2/20 0.46
ALOX15 P16050 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ADORA2A P29274 2/20 0.45
ADORA1 P30542 2/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 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
SCHEMBL6133820 0.89 KDM4E (0.52) TSHRALDH1A1MAPK1LMNAHTT
SCHEMBL6133417 0.89 KDM4E (0.49) TSHRALDH1A1MAPK1LMNAHTT
SCHEMBL6134249 0.88 TSHR (0.46) TSHRALDH1A1MAPK1LMNAHTT
SCHEMBL6133540 0.87 KMT2A (0.51) TSHRALDH1A1MAPK1LMNAHTT
SCHEMBL6134093 0.86 CYP1A2 (0.49) TSHRALDH1A1MAPK1LMNAHTT
SCHEMBL6133701 0.85 KDM4E (0.46) TSHRALDH1A1MAPK1LMNAHTT
SCHEMBL6133513 0.84 ALDH1A1 (0.46) ALDH1A1HTTRAB9ANPC1POLB
SCHEMBL6133345 0.81 SMN1; SMN2 (0.49) TSHRALDH1A1MAPK1LMNAHTT
SCHEMBL6133541 0.80 LMNA (0.49) TSHRALDH1A1MAPK1LMNAHTT
SCHEMBL6133519 0.80 CYP3A4 (0.43) TSHRALDH1A1LMNAHTTNAMPT

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 TSHR 20/4885ALDH1A1 630/4885MAPK1 3652/4885

“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.