SCHEMBL3821580

SCHEMBL3821580

Cc1ccncc1-c1nc(-c2ccncc2)cs1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.61
RAB9A P51151 5/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
NPC1 O15118 2/20 0.61
CYP19A1 P11511 8/20 0.60
AR P10275 2/20 0.56
KMT2A Q03164 1/20 0.56
LMNA P02545 2/20 0.53
ALDH1A1 P00352 1/20 0.51
AXL P30530 1/20 0.50
PBRM1 Q86U86 1/20 0.50
MKNK1 Q9BUB5 1/20 0.50
MKNK2 Q9HBH9 1/20 0.50
CYP17A1 P05093 1/20 0.48

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
SCHEMBL3818666 0.90 CYP19A1 (0.55) KDM4ERAB9ASMN1; SMN2NPC1CYP19A1
SCHEMBL3813419 0.90 KDM4E (0.66) KDM4ERAB9ASMN1; SMN2NPC1CYP19A1
SCHEMBL6648628 0.90 CYP19A1 (0.60) KDM4ERAB9ASMN1; SMN2NPC1CYP19A1
SCHEMBL3814593 0.90 KDM4E (0.66) KDM4ERAB9ASMN1; SMN2NPC1CYP19A1
SCHEMBL3822438 0.89 RAB9A (0.59) KDM4ERAB9ASMN1; SMN2NPC1CYP19A1
SCHEMBL6651724 0.86 GAA (0.57) KDM4ERAB9ASMN1; SMN2NPC1CYP19A1
SCHEMBL3823800 0.85 RAB9A (0.59) KDM4ERAB9ASMN1; SMN2NPC1CYP19A1
SCHEMBL3816401 0.84 CYP19A1 (0.51) KDM4ERAB9ASMN1; SMN2NPC1CYP19A1
SCHEMBL3821571 0.84 PIM1 (0.54) KDM4ERAB9ASMN1; SMN2NPC1CYP19A1
SCHEMBL6649024 0.83 EIF4E (0.64) KDM4ERAB9ANPC1CYP19A1KMT2A

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 6 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
EP-1432706-A2 3-PYRIDYL OR 4-ISOQUINOLINYL THIAZOLES AS C17,20 LYASE INHIBITORS Bayer Pharmaceuticals Corporation (US) 2004-06-30 EP 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
WO-2003027085-A2 3-PYRIDYL OR 4-ISOQUINOLINYL THIAZOLES AS C17,20 LYASE INHIBITORS BAYER PHARMACEUTICALS CORPORATION (US) 2003-04-03 WO 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 1126/4885RAB9A 4836/4885SMN1; SMN2 4849/4885

“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.