SCHEMBL3820529

SCHEMBL3820529

Cc1ccncc1-c1csc(-c2ccc(C(N)=O)cc2)n1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 7/20 0.50
PIM1 P11309 1/20 0.47
PIM3 Q86V86 1/20 0.47
NPC1 O15118 6/20 0.47
RAB9A P51151 6/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
KDM4E B2RXH2 4/20 0.47
EIF4E P06730 1/20 0.45
CYP17A1 P05093 1/20 0.44
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
SLC22A12 Q96S37 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL3821571 0.91 PIM1 (0.54) CYP19A1PIM1PIM3NPC1RAB9A
SCHEMBL3818338 0.88 CYP19A1 (0.44) CYP19A1PIM1PIM3SMN1; SMN2EIF4E
SCHEMBL3823804 0.87 CYP19A1 (0.50) CYP19A1NPC1RAB9AKDM4EEIF4E
SCHEMBL3820024 0.86 CYP19A1 (0.52) CYP19A1NPC1RAB9AKDM4EEIF4E
SCHEMBL3818224 0.86 RAB9A (0.61) CYP19A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL30263313 0.85 CYP19A1 (0.44) CYP19A1SMN1; SMN2EIF4ECYP17A1
SCHEMBL3822438 0.84 RAB9A (0.59) CYP19A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL3814856 0.81 RAB9A (0.65) CYP19A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL3822069 0.81 CYP19A1 (0.54) CYP19A1PIM1PIM3NPC1RAB9A
SCHEMBL3813261 0.81 KDM4E (0.64) CYP19A1NPC1RAB9ASMN1; SMN2KDM4E

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 10/4885PIM1 932/4885PIM3 1122/4885

“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.