SCHEMBL1629484

SCHEMBL1629484

C#Cc1ccc(C)c(OCOC)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.36
TEAD1 P28347 1/20 0.33
PTPN1 P18031 1/20 0.33
XDH P47989 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TSHR P16473 1/20 0.32
GAA P10253 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
EGFR P00533 5/20 0.31
ERBB2 P04626 3/20 0.31
GAK O14976 2/20 0.31
ILK Q13418 2/20 0.31
LMNA P02545 2/20 0.31
PLK4 O00444 1/20 0.31
CIT O14578 1/20 0.31
AURKA O14965 1/20 0.31
EPHB6 O15197 1/20 0.31
SLC22A1 O15245 1/20 0.31
DAPK3 O43293 1/20 0.31
RIPK2 O43353 1/20 0.31

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
SCHEMBL14472635 0.84 AR (0.50) ARXDHLMNA
SCHEMBL31273968 0.80 AR (0.44) ARTEAD1EGFRGAK
SCHEMBL10111073 0.76 TSHR (0.51) SMN1; SMN2TSHRGAATDP1LMNA
SCHEMBL9901812 0.74 GAA (0.41) ARPTPN1SMN1; SMN2TSHRGAA
SCHEMBL1391449 0.74 NQO1 (0.37)
SCHEMBL31130692 0.73
SCHEMBL23759950 0.73 CYP3A4 (0.37) PTPN1SMN1; SMN2TSHRTDP1EGFR
SCHEMBL17094719 0.73 PTGDR2 (0.44) LMNACYP3A4
SCHEMBL4749281 0.73 FFAR1 (0.47) PTPN1SMN1; SMN2TSHRGAATDP1
SCHEMBL30755347 0.73 FFAR1 (0.47) PTPN1SMN1; SMN2TSHRGAATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101479278-B Novel 4-amino-3- (pyrrolyl-phenoxymethyl) -thieno [3,2] pyridine-7-carboxylic acid derivatives HOFFMAN-LA ROCHE LTD. (CH) 2011-12-07 CN disclosed
US-7932390-B2 Substituted thieno[3,2-C]pyridine carboxylic acid derivatives HOFFMAN-LA ROCHE INC. (US) 2011-04-26 US disclosed
US-7932390-B2 Substituted thieno[3,2-C]pyridine carboxylic acid derivatives HOFFMAN-LA ROCHE INC. (US) 2011-04-26 US disclosed
US-7932390-B2 Substituted thieno[3,2-C]pyridine carboxylic acid derivatives HOFFMAN-LA ROCHE INC. (US) 2011-04-26 US disclosed
EP-2038288-B1 NOVEL 4-AMINO-3-(-AZOLYL-PHENOXYMETHYL)-THIENOÝ3,2¨PYRIDINE-7-CARBOXYLIC ACID DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-11-24 EP disclosed
CN-101479278-A Novel 4-amino-3- (pyrrolyl-phenoxymethyl) -thieno [3,2] pyridine-7-carboxylic acid derivatives HOFFMANN LA ROCHE (CH) 2009-07-08 CN disclosed
EP-2038288-A1 NOVEL 4-AMINO-3-(-AZOLYL-PHENOXYMETHYL)-THIENOÝ3,2¨PYRIDINE-7-CARBOXYLIC ACID DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2009-03-25 EP disclosed
US-20080009515-A1 Substituted thieno[3,2-C]pyridine carboxylic acid derivatives CHEN YI 2008-01-10 US disclosed
US-20080009515-A1 Substituted thieno[3,2-C]pyridine carboxylic acid derivatives CHEN YI 2008-01-10 US disclosed
US-20080009515-A1 Substituted thieno[3,2-C]pyridine carboxylic acid derivatives CHEN YI 2008-01-10 US disclosed
WO-2008000697-A1 NOVEL 4-AMINO-3-(-AZOLYL-PHENOXYMETHYL)-THIENO[3,2]PYRIDINE-7-CARBOXYLIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-01-03 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-20080009515-A1 Substituted thieno[3,2-C]pyridine carboxylic acid derivatives UQCRB, UQCRC2, AURKB AR 1143/4885TEAD1 1293/4885PTPN1 3280/4885

“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.