SCHEMBL5733727

SCHEMBL5733727

Cc1ccncc1-c1csc(-c2c(C)ccc(C(N)=O)c2C)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT3 Q9NTG7 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYP19A1 P11511 2/20 0.43
EIF4E P06730 1/20 0.39
CDK5 Q00535 2/20 0.38
CDK5R1 Q15078 2/20 0.38
C1S P09871 1/20 0.38
PKMYT1 Q99640 1/20 0.38
CCR6 P51684 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP17A1 P05093 1/20 0.37
BTK Q06187 2/20 0.36
LCK P06239 1/20 0.36
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
PIM1 P11309 1/20 0.36
PIM3 Q86V86 1/20 0.36
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
DHODH Q02127 1/20 0.35

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
SCHEMBL30292506 0.82 CYP19A1 (0.46) SIRT3TDP1CYP19A1EIF4ESMN1; SMN2
SCHEMBL3818338 0.81 CYP19A1 (0.44) SIRT3TDP1CYP19A1EIF4EC1S
SCHEMBL27986832 0.80 SIRT3 (0.43) SIRT3TDP1CYP19A1EIF4ECDK5
SCHEMBL30263313 0.79 CYP19A1 (0.44) SIRT3TDP1CYP19A1EIF4EC1S
SCHEMBL3820529 0.79 CYP19A1 (0.50) CYP19A1EIF4ESMN1; SMN2CYP17A1PIM1
SCHEMBL3818666 0.78 CYP19A1 (0.55) TDP1CYP19A1SMN1; SMN2CYP17A1MKNK1
SCHEMBL3823804 0.76 CYP19A1 (0.50) TDP1CYP19A1EIF4ECYP17A1MKNK1
SCHEMBL3820024 0.75 CYP19A1 (0.52) TDP1CYP19A1EIF4ECYP17A1MKNK1
SCHEMBL3821571 0.75 PIM1 (0.54) SIRT3TDP1CYP19A1EIF4ESMN1; SMN2
SCHEMBL3822438 0.74 RAB9A (0.59) TDP1CYP19A1SMN1; SMN2CYP17A1MKNK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 SIRT3 1270/4885TDP1 3025/4885CYP19A1 10/4885

“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.