SCHEMBL3821602

SCHEMBL3821602

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 2/20 0.43
CYP19A1 P11511 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
GRM1 Q13255 1/20 0.41
EIF4E P06730 3/20 0.41
NPC1 O15118 2/20 0.41
MAPT P10636 2/20 0.41
RAB9A P51151 2/20 0.41
KCNH2 Q12809 1/20 0.41
AXL P30530 1/20 0.41
PBRM1 Q86U86 1/20 0.41
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
ALOX15 P16050 1/20 0.41
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 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
SCHEMBL3814778 0.88 CYP19A1 (0.50) KCNA5CYP19A1SMN1; SMN2GRM1EIF4E
SCHEMBL3817825 0.88 CYP19A1 (0.45) CYP19A1SMN1; SMN2EIF4ENPC1MAPT
SCHEMBL3820197 0.86 KCNA5 (0.46) KCNA5CYP19A1SMN1; SMN2GRM1EIF4E
SCHEMBL3812393 0.83 CYP19A1 (0.52) KCNA5CYP19A1SMN1; SMN2GRM1EIF4E
SCHEMBL6648187 0.75 KDM4E (0.56) CYP19A1NPC1MAPTRAB9AAXL
SCHEMBL6647410 0.75 RAB9A (0.49) CYP19A1SMN1; SMN2NPC1MAPTRAB9A
SCHEMBL3820024 0.74 CYP19A1 (0.52) CYP19A1EIF4ENPC1MAPTRAB9A
SCHEMBL6648683 0.74 CYP19A1 (0.50) CYP19A1SMN1; SMN2NPC1MAPTRAB9A
SCHEMBL3823584 0.74 CYP19A1 (0.43) CYP19A1SMN1; SMN2GRM1EIF4ECYP17A1
SCHEMBL6647407 0.74 KDM4E (0.59) CYP19A1SMN1; SMN2NPC1RAB9AAXL

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 KCNA5 3734/4885CYP19A1 10/4885SMN1; SMN2 4849/4885

“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.