SCHEMBL3814593

SCHEMBL3814593

Cc1ccncc1-c1nc(-c2ccc(Cl)cc2)cs1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.66
RAB9A P51151 6/20 0.66
SMN1; SMN2 Q16637 4/20 0.66
LMNA P02545 3/20 0.66
CYP19A1 P11511 3/20 0.58
NPC1 O15118 4/20 0.54
SREBF2 Q12772 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
EIF4E P06730 1/20 0.47
MAPT P10636 1/20 0.47
ATM Q13315 1/20 0.47
AR P10275 1/20 0.47
ESR1 P03372 1/20 0.46
ALDH1A1 P00352 1/20 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
SCHEMBL3821580 0.90 KDM4E (0.61) KDM4ERAB9ASMN1; SMN2LMNACYP19A1
SCHEMBL6648628 0.86 CYP19A1 (0.60) KDM4ERAB9ASMN1; SMN2LMNACYP19A1
SCHEMBL3813419 0.86 KDM4E (0.66) KDM4ERAB9ASMN1; SMN2LMNACYP19A1
SCHEMBL3813712 0.85 KDM4E (0.69) KDM4ERAB9ASMN1; SMN2LMNACYP19A1
SCHEMBL6649024 0.85 EIF4E (0.64) KDM4ERAB9ACYP19A1NPC1MEN1
SCHEMBL6646582 0.84 CYP19A1 (0.60) KDM4ERAB9ALMNACYP19A1NPC1
SCHEMBL3818666 0.83 CYP19A1 (0.55) KDM4ERAB9ASMN1; SMN2LMNACYP19A1
SCHEMBL6626985 0.82 SMN1; SMN2 (0.51) KDM4ERAB9ASMN1; SMN2LMNACYP19A1
SCHEMBL6627488 0.82 KDM4E (0.61) KDM4ERAB9ASMN1; SMN2LMNACYP19A1
SCHEMBL6651724 0.82 GAA (0.57) KDM4ERAB9ASMN1; SMN2LMNACYP19A1

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 10 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-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-20040267017-A1 3-pyridyl or 4-isoquinolinyl thiazoles as c17, 20 lyase inhibitors BAYER PHARMACEUTICALS CORPORATION 2004-12-30 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 (2 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
US-20040267017-A1 3-pyridyl or 4-isoquinolinyl thiazoles as c17, 20 lyase inhibitors CYP17A1, CYP21A2, HSD17B1 KDM4E 1135/4885RAB9A 4449/4885SMN1; SMN2 4305/4885

“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.