SCHEMBL3818338

SCHEMBL3818338

Cc1ccncc1-c1csc(-c2cc(C(N)=O)ccc2C)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.44
KDM4B O94953 1/20 0.43
KDM5C P41229 1/20 0.43
KDM5B Q9UGL1 1/20 0.43
SLC22A12 Q96S37 1/20 0.42
AR P10275 1/20 0.41
EIF4E P06730 2/20 0.41
SIRT3 Q9NTG7 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
C1S P09871 1/20 0.41
CYP17A1 P05093 1/20 0.41
CCR6 P51684 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PIM1 P11309 1/20 0.39
PIM3 Q86V86 1/20 0.39
MAPK14 Q16539 1/20 0.38
ABL1 P00519 1/20 0.38
MAP4K1 Q92918 1/20 0.38
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38

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
SCHEMBL3820529 0.88 CYP19A1 (0.50) CYP19A1SLC22A12EIF4ECYP17A1SMN1; SMN2
SCHEMBL3820024 0.86 CYP19A1 (0.52) CYP19A1KDM4BKDM5CKDM5BEIF4E
SCHEMBL3821583 0.86 SMN1; SMN2 (0.46) CYP19A1EIF4ECYP17A1CCR6SMN1; SMN2
SCHEMBL3823584 0.86 CYP19A1 (0.43) CYP19A1EIF4ECYP17A1CCR6SMN1; SMN2
SCHEMBL30263313 0.85 CYP19A1 (0.44) CYP19A1KDM4BKDM5CKDM5BEIF4E
SCHEMBL3823804 0.85 CYP19A1 (0.50) CYP19A1EIF4ETDP1CYP17A1MKNK1
SCHEMBL3821571 0.84 PIM1 (0.54) CYP19A1SLC22A12EIF4ESIRT3TDP1
SCHEMBL3822069 0.83 CYP19A1 (0.54) CYP19A1EIF4ETDP1CYP17A1PIM1
SCHEMBL3814181 0.82 CDK5 (0.54) AREIF4E
SCHEMBL5733727 0.81 SIRT3 (0.46) CYP19A1EIF4ESIRT3TDP1C1S

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 10/4885KDM4B 1174/4885KDM5C 539/4885

“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.