SCHEMBL4472156

SCHEMBL4472156

CC(=O)C#Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.52
PTPN1 P18031 1/20 0.52
GRM5 P41594 7/20 0.50
CES2 O00748 1/20 0.47
PTGES O14684 2/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAOB P27338 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL1590604 0.85 PTPN1 (0.57) FFAR1PTPN1GRM5CES2PTGES
SCHEMBL852573 0.83 PTPN1 (0.52) FFAR1PTPN1GRM5CES2PTGES
SCHEMBL16803398 0.82 NPSR1 (0.44) FFAR1GRM5MEN1KMT2AALDH1A1
SCHEMBL30873473 0.80 GRM5 (0.58) FFAR1PTPN1GRM5CES2PTGES
SCHEMBL4490688 0.79 CES2 (0.45) PTPN1CES2PTGDR2ALDH1A1MAOB
SCHEMBL5484146 0.77 FFAR1 (0.47) FFAR1PTPN1GRM5PTGESPTGDR2
SCHEMBL8006286 0.77 GRM5 (0.53) FFAR1PTPN1GRM5CES2PTGES
SCHEMBL28788065 0.75 FFAR1 (0.62) FFAR1PTPN1GRM5CES2PTGES
SCHEMBL6752278 0.75 FFAR1 (0.50) FFAR1GRM5
SCHEMBL27821982 0.74 PTPN1 (0.60) FFAR1PTPN1GRM5PTGESPTGDR2

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
US-7582630-B2 Pyradazine compounds as GSK-3 inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2009-09-01 US disclosed
US-20090137837-A1 METHODS OF SYNTHESIZING CINACALCET AND SALTS THEREOF AMGEN INC. 2009-05-28 US disclosed
US-20060069097-A1 Pyradazine compounds as gsk-3 inhibitors SMITHKLINE BEECHAM CORPORATION 2006-03-30 US disclosed
EP-1551842-A1 PYRADAZINE COMPOUNDS AS GSK-3 INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-07-13 EP disclosed
WO-2004035588-A1 PYRADAZINE COMPOUNDS AS GSK-3 INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-04-29 WO disclosed
WO-2000024742-A1 PYRAZOLOPYRIDINE AS ADENOSINE ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-05-04 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-20090137837-A1 METHODS OF SYNTHESIZING CINACALCET AND SALTS THEREOF ACE, SI, REN FFAR1 3139/4885PTPN1 1102/4885GRM5 4425/4885
US-20060069097-A1 Pyradazine compounds as gsk-3 inhibitors GSK3B, GSK3A, GSKIP FFAR1 4383/4885PTPN1 987/4885GRM5 1169/4885

“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.