SCHEMBL3823804

SCHEMBL3823804

Cc1ccncc1-c1csc(-c2cncc(C(N)=O)c2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 7/20 0.50
CYP17A1 P05093 1/20 0.46
EIF4E P06730 2/20 0.45
NPC1 O15118 3/20 0.42
MAPT P10636 3/20 0.42
RAB9A P51151 3/20 0.42
MKNK1 Q9BUB5 2/20 0.42
MKNK2 Q9HBH9 2/20 0.42
AXL P30530 1/20 0.42
PBRM1 Q86U86 1/20 0.42
KDM4E B2RXH2 2/20 0.42
LMNA P02545 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL3820024 0.88 CYP19A1 (0.52) CYP19A1CYP17A1EIF4ENPC1MAPT
SCHEMBL3820529 0.87 CYP19A1 (0.50) CYP19A1CYP17A1EIF4ENPC1MAPT
SCHEMBL3818427 0.87 CYP19A1 (0.48) CYP19A1CYP17A1EIF4ENPC1MAPT
SCHEMBL3818338 0.85 CYP19A1 (0.44) CYP19A1CYP17A1EIF4EMKNK1MKNK2
SCHEMBL3819137 0.84 CYP19A1 (0.46) CYP19A1CYP17A1EIF4ENPC1MAPT
SCHEMBL3822069 0.83 CYP19A1 (0.54) CYP19A1CYP17A1EIF4ENPC1MAPT
SCHEMBL30263313 0.82 CYP19A1 (0.44) CYP19A1CYP17A1EIF4ETDP1
SCHEMBL3821571 0.81 PIM1 (0.54) CYP19A1EIF4ENPC1MAPTRAB9A
SCHEMBL3822438 0.79 RAB9A (0.59) CYP19A1CYP17A1NPC1MAPTRAB9A
SCHEMBL3814778 0.77 CYP19A1 (0.50) CYP19A1CYP17A1EIF4ENPC1MAPT

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.