SCHEMBL6133310

SCHEMBL6133310

CC(C)n1nc(CC(=O)c2cccc(F)c2)ccc1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.41
CHRNB2 P17787 1/20 0.39
SLC6A2 P23975 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
SLC6A3 Q01959 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
KDM4E B2RXH2 4/20 0.38
MAPT P10636 3/20 0.38
HPGD P15428 3/20 0.38
HTT P42858 3/20 0.38
MEN1 O00255 2/20 0.38
NPC1 O15118 2/20 0.38
LMNA P02545 2/20 0.38
TSHR P16473 2/20 0.38
KMT2A Q03164 2/20 0.38
ALOX12 P18054 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38

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
SCHEMBL6133738 0.85 KMT2A (0.42) GSK3BCHRNB2SLC6A2CHRNB4CHRNA3
SCHEMBL6133926 0.85 NPSR1 (0.44) CES2MEN1NPC1LMNATSHR
SCHEMBL6133315 0.85 RAB9A (0.46) GSK3BKDM4EHTTMEN1NPC1
SCHEMBL5147931 0.84 POLB (0.44) CES1KDM4EMAPTHPGDHTT
SCHEMBL6133646 0.79 PTPN1 (0.39) GSK3BCES2CES1MAPTNPC1
SCHEMBL6134144 0.77 MEN1 (0.43) GSK3BCES2CES1MAPTMEN1
SCHEMBL6133327 0.75 CHRNB2 (0.43) GSK3BCHRNB2SLC6A2CHRNB4CHRNA3
SCHEMBL6539165 0.72 POLB (0.38) KDM4EMAPTHPGDHTTMEN1
SCHEMBL6133925 0.72 CTNNB1 (0.41) NPC1LMNARAB9ACTNNB1WNT3A
SCHEMBL6134543 0.71 CES2 (0.40) GSK3BCHRNB2SLC6A2CHRNB4CHRNA3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050043315-A1 Aminopyrimidine compounds, processes for their preparation and pharmaceutical compositions containing them ASTELLAS PHARMA INC. (JP) 2005-02-24 US disclosed
US-20050004134-A1 Thiazole derivative and pharmaceutical use thereof ASTELLAS PHARMA INC. (JP) 2005-01-06 US disclosed
EP-1441732-A2 THIAZOLE DERIVATIVE AND PHARMACEUTICAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-04 EP disclosed
WO-2003057689-A1 AMINOPYRIMIDINE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-07-17 WO disclosed
WO-2003039451-A2 THIAZOLE PYRIDAZINONES AS ADENOSINE ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-05-15 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-20050043315-A1 Aminopyrimidine compounds, processes for their preparation and pharmaceutical compositions containing them ADORA2B, ADORA2A, ADORA1 GSK3B 516/4885CHRNB2 182/4885SLC6A2 572/4885
US-20050004134-A1 Thiazole derivative and pharmaceutical use thereof MC2R, CYP2C9, OXTR GSK3B 3651/4885CHRNB2 3632/4885SLC6A2 2223/4885

“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.