SCHEMBL3817004

SCHEMBL3817004

Cc1ccc(-c2nc(-c3cnccc3C)sc2F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 1/20 0.41
CYP11B1 P15538 6/20 0.40
CYP11B2 P19099 6/20 0.40
CYP17A1 P05093 3/20 0.40
KDM4E B2RXH2 2/20 0.39
GFER P55789 1/20 0.39
PTGS2 P35354 1/20 0.38
ABL1 P00519 2/20 0.37
MAPK14 Q16539 2/20 0.36
MAPK13 O15264 1/20 0.36
GCGR P47871 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2E1 P05181 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C8 P10632 1/20 0.36

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
SCHEMBL3819167 0.75 MAPK13 (0.42) CYP11B1CYP11B2CYP17A1KDM4EPTGS2
SCHEMBL6648528 0.73 MAPK13 (0.40) CYP11B1CYP11B2CYP17A1KDM4EPTGS2
SCHEMBL17795041 0.73 CYP11B1 (0.53) RPS6KA3CYP11B1CYP11B2CYP17A1PTGS2
SCHEMBL6650148 0.73 PTGS2 (0.42) RPS6KA3CYP11B1CYP11B2CYP17A1PTGS2
SCHEMBL3813419 0.68 KDM4E (0.66) CYP11B1CYP11B2CYP17A1KDM4ENPC1
SCHEMBL16455592 0.67 CYP17A1 (0.55) RPS6KA3CYP11B1CYP11B2CYP17A1PTGS2
SCHEMBL6647985 0.65 RAB9A (0.64) CYP17A1KDM4EPTGS2NPC1RAB9A
SCHEMBL29988790 0.65 TDO2 (0.49) CYP11B1CYP11B2CYP17A1PTGS2ABL1
SCHEMBL3421743 0.65 TDO2 (0.49) CYP11B1CYP11B2CYP17A1PTGS2ABL1
SCHEMBL10053508 0.64 CYP1A2 (0.44) CYP11B1CYP11B2CYP17A1ABL1SMN1; 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 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 RPS6KA3 4172/4885CYP11B1 17/4885CYP11B2 28/4885

“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.