SCHEMBL3817637

SCHEMBL3817637

N#Cc1cccc(-c2csc(-c3cnccc3C(F)(F)F)n2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF4E P06730 2/20 0.46
CYP1A1 P04798 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP1B1 Q16678 1/20 0.45
SCN9A Q15858 1/20 0.43
CYP19A1 P11511 5/20 0.42
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
SLC22A12 Q96S37 1/20 0.41
AXL P30530 1/20 0.41
PBRM1 Q86U86 1/20 0.41
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
GRM5 P41594 1/20 0.41
KDM4E B2RXH2 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
SYK P43405 1/20 0.40
IDO1 P14902 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL6781128 0.86 CDC25A (0.49) EIF4ECYP1A1CYP1B1CYP19A1RAB9A
SCHEMBL3816057 0.83 TSHR (0.48) SCN9ACYP19A1RAB9ANPC1AXL
SCHEMBL3814224 0.83 CYP19A1 (0.52) EIF4ECYP1A1CYP1A2CYP1B1CYP19A1
SCHEMBL6649829 0.83 EIF4E (0.50) EIF4ECYP1A1CYP1A2CYP1B1CYP19A1
SCHEMBL6651011 0.80 EIF4E (0.48) EIF4ECYP1A1CYP1A2CYP1B1CYP19A1
SCHEMBL3816204 0.79 KDM4E (0.49) EIF4ESCN9ACYP19A1RAB9ANPC1
SCHEMBL1858562 0.78 EIF4E (0.61) EIF4ECYP1A1CYP1A2CYP1B1KDM4E
SCHEMBL3819181 0.76 HTT (0.56) RAB9ANPC1SLC22A12SYK
SCHEMBL3822110 0.76 NPC1 (0.54) RAB9ANPC1KDM4ETDP1SYK
Hydrochloric Acid SCHEMBL5732896 0.75 NPC1 (0.53) RAB9ANPC1KDM4ETDP1SYK

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 EIF4E 4642/4885CYP1A1 60/4885CYP1A2 70/4885

“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.