SCHEMBL3817825

SCHEMBL3817825

CC(C)c1ccncc1-c1csc(-c2cccc(C(N)=O)c2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.45
EIF4E P06730 4/20 0.44
FYN P06241 1/20 0.43
MAPT P10636 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
AXL P30530 1/20 0.42
PBRM1 Q86U86 1/20 0.42
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
MEN1 O00255 1/20 0.42
TP53 P04637 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP17A1 P05093 1/20 0.42
HSD17B1 P14061 1/20 0.41
HSD17B2 P37059 1/20 0.41
CDK5 Q00535 2/20 0.41
CDK5R1 Q15078 2/20 0.41

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
SCHEMBL3821602 0.88 KCNA5 (0.43) CYP19A1EIF4EMAPTNPC1RAB9A
SCHEMBL3820024 0.87 CYP19A1 (0.52) CYP19A1EIF4EFYNMAPTNPC1
SCHEMBL3824013 0.85 CYP19A1 (0.45) CYP19A1EIF4EFYNMAPTNPC1
SCHEMBL3822069 0.82 CYP19A1 (0.54) CYP19A1EIF4EFYNMAPTNPC1
SCHEMBL3816204 0.77 KDM4E (0.49) CYP19A1EIF4EFYNMAPTNPC1
SCHEMBL6647410 0.77 RAB9A (0.49) CYP19A1MAPTNPC1RAB9AAXL
SCHEMBL6648187 0.77 KDM4E (0.56) CYP19A1MAPTNPC1RAB9AAXL
SCHEMBL6648683 0.76 CYP19A1 (0.50) CYP19A1MAPTNPC1RAB9AAXL
SCHEMBL6647407 0.75 KDM4E (0.59) CYP19A1NPC1RAB9AAXLPBRM1
SCHEMBL3823804 0.75 CYP19A1 (0.50) CYP19A1EIF4EMAPTNPC1RAB9A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1348706-B1 SUBSTITUTED THIAZOLE DERIVATIVES BEARING 3-PYRIDYL GROUPS, PROCESS FOR PREPARING THE SAME AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2009-08-19 EP disclosed
US-7067537-B2 Substituted thiazole derivatives bearing 3-pyridyl groups, process for preparing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-06-27 US disclosed
US-20040072876-A1 Substituted thiazole derivatives bearing 3-pyridyl groups, process for preparing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-15 US disclosed
EP-1348706-A1 SUBSTITUTED THIAZOLE DERIVATIVES BEARING 3-PYRIDYL GROUPS, PROCESS FOR PREPARING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2003-10-01 EP 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-20040072876-A1 Substituted thiazole derivatives bearing 3-pyridyl groups, process for preparing the same and use thereof CYP17A1, CYP21A2, HSD17B1 CYP19A1 10/4885EIF4E 4642/4885FYN 3697/4885

“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.