SCHEMBL3817082

SCHEMBL3817082

Cc1ccncc1-c1csc(-c2ccc(=O)[nH]c2)n1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 10/20 0.50
RAB9A P51151 4/20 0.44
NPC1 O15118 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 2/20 0.44
CYP17A1 P05093 1/20 0.44
EIF4E P06730 1/20 0.43
MAPT P10636 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
AXL P30530 1/20 0.42
PBRM1 Q86U86 1/20 0.42
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CDK5 Q00535 2/20 0.40
CDK5R1 Q15078 2/20 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
SCHEMBL3822438 0.81 RAB9A (0.59) CYP19A1RAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL3818666 0.80 CYP19A1 (0.55) CYP19A1RAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL3813261 0.78 KDM4E (0.64) CYP19A1RAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL3818458 0.77 CYP19A1 (0.72) CYP19A1RAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL3820529 0.76 CYP19A1 (0.50) CYP19A1RAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL3820634 0.76 CYP19A1 (0.50) CYP19A1RAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL6626838 0.75 CDK5 (0.53) CYP19A1RAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL6648943 0.75 CYP11B1 (0.55) CYP19A1RAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL6649329 0.75 CYP17A1 (0.54) CYP19A1RAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL3550642 0.74 KMT2A (0.49) RAB9AKDM4EMAPTMEN1KMT2A

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 5 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 claimed
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 10/4885RAB9A 4836/4885NPC1 2076/4885

“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.