SCHEMBL3814778

SCHEMBL3814778

Cc1ccncc1-c1csc(-c2cccc(C(=O)N(C)C)c2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.50
CYP17A1 P05093 1/20 0.47
EIF4E P06730 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.43
GRM1 Q13255 1/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
MAPT P10636 2/20 0.42
KCNA5 P22460 1/20 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
ALOX15 P16050 1/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42

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
SCHEMBL3812393 0.94 CYP19A1 (0.52) CYP19A1CYP17A1EIF4ESMN1; SMN2GRM1
SCHEMBL3821602 0.88 KCNA5 (0.43) CYP19A1CYP17A1EIF4ESMN1; SMN2GRM1
SCHEMBL3820197 0.88 KCNA5 (0.46) CYP19A1CYP17A1EIF4ESMN1; SMN2GRM1
SCHEMBL3820024 0.87 CYP19A1 (0.52) CYP19A1CYP17A1EIF4ENPC1RAB9A
SCHEMBL3823584 0.87 CYP19A1 (0.43) CYP19A1CYP17A1EIF4ESMN1; SMN2GRM1
SCHEMBL3818679 0.85 CYP19A1 (0.53) CYP19A1CYP17A1EIF4ESMN1; SMN2NPC1
SCHEMBL3814041 0.81 CYP19A1 (0.55) CYP19A1CYP17A1EIF4ESMN1; SMN2NPC1
SCHEMBL3822069 0.80 CYP19A1 (0.54) CYP19A1CYP17A1EIF4ENPC1RAB9A
SCHEMBL3813426 0.79 GPBAR1 (0.45) KCNA5KEAP1NFE2L2MTOR
SCHEMBL3813650 0.79 NPC1 (0.57) CYP19A1SMN1; SMN2NPC1RAB9AMAPT

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 10/4885CYP17A1 1/4885EIF4E 4642/4885

“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.