SCHEMBL3818458

SCHEMBL3818458

Cc1ccncc1-c1csc(-c2cccnc2)n1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.72
CYP17A1 P05093 1/20 0.70
AXL P30530 1/20 0.68
PBRM1 Q86U86 1/20 0.68
MKNK1 Q9BUB5 1/20 0.68
MKNK2 Q9HBH9 1/20 0.68
RAB9A P51151 5/20 0.64
KDM4E B2RXH2 4/20 0.64
ALDH1A1 P00352 2/20 0.64
NPC1 O15118 4/20 0.63
TDP1 Q9NUW8 1/20 0.63
CYP2E1 P05181 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2A6 P11509 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2B6 P20813 1/20 0.61
MAPT P10636 3/20 0.60
LMNA P02545 2/20 0.60
HSD17B10 Q99714 2/20 0.60
MEN1 O00255 1/20 0.60

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
SCHEMBL3822438 0.88 RAB9A (0.59) CYP19A1CYP17A1AXLPBRM1MKNK1
SCHEMBL3818666 0.86 CYP19A1 (0.55) CYP19A1CYP17A1AXLPBRM1MKNK1
SCHEMBL6649613 0.84 CYP19A1 (0.59) CYP19A1CYP17A1AXLPBRM1MKNK1
SCHEMBL3813261 0.82 KDM4E (0.64) CYP19A1CYP17A1RAB9AKDM4ENPC1
SCHEMBL6649362 0.82 CYP19A1 (0.87) CYP19A1AXLPBRM1MKNK1MKNK2
SCHEMBL6196239 0.81 CYP19A1 (1.00) CYP19A1AXLPBRM1MKNK1MKNK2
SCHEMBL6649329 0.81 CYP17A1 (0.54) CYP19A1CYP17A1RAB9AKDM4EALDH1A1
SCHEMBL19051355 0.81 CYP19A1 (0.79) CYP19A1CYP17A1AXLPBRM1MKNK1
SCHEMBL3821580 0.80 KDM4E (0.61) CYP19A1CYP17A1AXLPBRM1MKNK1
SCHEMBL6648628 0.80 CYP19A1 (0.60) CYP19A1CYP17A1AXLPBRM1MKNK1

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 10/4885CYP17A1 1/4885AXL 3100/4885

“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.