SCHEMBL3814224

SCHEMBL3814224

Cc1ccncc1-c1nc(-c2cccc(C#N)c2)cs1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.52
CYP11B1 P15538 1/20 0.52
CYP11B2 P19099 1/20 0.52
CYP1A1 P04798 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP1B1 Q16678 1/20 0.49
EIF4E P06730 3/20 0.48
RAB9A P51151 3/20 0.46
KDM4E B2RXH2 2/20 0.46
NPC1 O15118 2/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP17A1 P05093 1/20 0.46
AXL P30530 1/20 0.44
PBRM1 Q86U86 1/20 0.44
MKNK1 Q9BUB5 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
GRM5 P41594 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
SCHEMBL6649829 0.86 EIF4E (0.50) CYP19A1CYP1A1CYP1A2CYP1B1EIF4E
SCHEMBL6651011 0.85 EIF4E (0.48) CYP19A1CYP1A1CYP1A2CYP1B1EIF4E
SCHEMBL6651724 0.85 GAA (0.57) CYP19A1CYP11B1CYP11B2CYP1A1CYP1B1
SCHEMBL3817637 0.83 EIF4E (0.46) CYP19A1CYP1A1CYP1A2CYP1B1EIF4E
SCHEMBL5557829 0.82 CYP11B1 (0.69) CYP11B1CYP11B2CYP1A2KDM4EGRM5
SCHEMBL6629397 0.81 CYP19A1 (0.55) CYP19A1CYP1A1CYP1A2CYP1B1RAB9A
SCHEMBL6646582 0.81 CYP19A1 (0.60) CYP19A1CYP1A1CYP1A2CYP1B1EIF4E
SCHEMBL1858562 0.80 EIF4E (0.61) CYP1A1CYP1A2CYP1B1EIF4EKDM4E
SCHEMBL6648943 0.79 CYP11B1 (0.55) CYP19A1CYP11B1CYP11B2CYP1A1CYP1B1
SCHEMBL3821580 0.79 KDM4E (0.61) CYP19A1RAB9AKDM4ENPC1LMNA

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 10/4885CYP11B1 17/4885CYP11B2 28/4885

“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.