SCHEMBL3813261

SCHEMBL3813261

Cc1ccncc1-c1csc(-c2ccc(F)cc2)n1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.64
AR P10275 1/20 0.64
CYP19A1 P11511 4/20 0.60
RAB9A P51151 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
NPC1 O15118 2/20 0.52
CYP17A1 P05093 3/20 0.48
TDP1 Q9NUW8 1/20 0.48
CYP11B1 P15538 1/20 0.48
CYP11B2 P19099 1/20 0.48
CDK5 Q00535 1/20 0.47
CDK5R1 Q15078 1/20 0.47
SREBF2 Q12772 1/20 0.47
LMNA P02545 2/20 0.46

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
SCHEMBL3813419 0.90 KDM4E (0.66) KDM4EARCYP19A1RAB9ASMN1; SMN2
SCHEMBL3822438 0.90 RAB9A (0.59) KDM4EARCYP19A1RAB9ASMN1; SMN2
SCHEMBL6626838 0.85 CDK5 (0.53) KDM4EARCYP19A1RAB9ASMN1; SMN2
SCHEMBL3818666 0.85 CYP19A1 (0.55) KDM4EARCYP19A1RAB9ASMN1; SMN2
SCHEMBL6648943 0.83 CYP11B1 (0.55) KDM4EARCYP19A1RAB9ASMN1; SMN2
SCHEMBL6648550 0.82 RAB9A (0.63) KDM4EARCYP19A1RAB9ANPC1
SCHEMBL3818458 0.82 CYP19A1 (0.72) KDM4ECYP19A1RAB9ASMN1; SMN2NPC1
SCHEMBL3820634 0.81 CYP19A1 (0.50) KDM4ECYP19A1RAB9ASMN1; SMN2NPC1
SCHEMBL3820529 0.81 CYP19A1 (0.50) KDM4ECYP19A1RAB9ASMN1; SMN2NPC1
SCHEMBL6649329 0.80 CYP17A1 (0.54) KDM4EARCYP19A1RAB9ASMN1; SMN2

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 8 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 claimed
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 claimed
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 claimed
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 claimed
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 KDM4E 1126/4885AR 58/4885CYP19A1 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.