SCHEMBL4698129

SCHEMBL4698129

COCOc1cccc(NC(=O)c2cccc(OCCN3CCOCC3)c2)c1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 10/20 0.62
KDR P35968 2/20 0.59
HTR2A P28223 1/20 0.59
KCNH2 Q12809 1/20 0.59
POLB P06746 1/20 0.57
LMNA P02545 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
NPC1 O15118 1/20 0.56
TP53 P04637 1/20 0.56
RAB9A P51151 1/20 0.56
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55

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
SCHEMBL4701479 0.87 KDR (0.74) EPHX2KDRHTR2AKCNH2MEN1
SCHEMBL6815425 0.83 KDR (0.68) EPHX2KDRHTR2AKCNH2POLB
SCHEMBL11926259 0.82 EPHX2 (0.69) EPHX2POLBTP53RAB9AMEN1
SCHEMBL385247 0.81 KDM4E (0.62) EPHX2SMN1; SMN2TP53CYP2C9CYP2C19
SCHEMBL6814510 0.81 KDR (0.62) EPHX2KDRHTR2AKCNH2POLB
SCHEMBL15459823 0.81 ALDH1A1 (0.67) EPHX2SMN1; SMN2TP53CYP2C9CYP2C19
SCHEMBL4702962 0.80 EPHX2 (0.55) EPHX2KDRHTR2AKCNH2
SCHEMBL13701717 0.79 EPHX2 (0.63) EPHX2KDRHTR2AKCNH2LMNA
SCHEMBL4265258 0.79 EPHX2 (0.89) EPHX2
SCHEMBL4698008 0.77 KDM4E (0.70) EPHX2POLBSMN1; SMN2TP53MEN1

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-1926737-B1 4-AMINO-THIENO[3,2-C]PYRIDINE-7-CARBOXYLIC ACID DERIVATIVES HOFFMANN LA ROCHE (CH) 2017-03-15 EP disclosed
EP-1926737-A1 4-AMINO-THIENO[3,2-C]PYRIDINE-7-CARBOXYLIC ACID DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-06-04 EP disclosed
WO-2007031428-A1 4-AMINO-THIENO[3,2-C]PYRIDINE-7-CARBOXYLIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-03-22 WO disclosed
US-20070060607-A1 4-amino-thieno[3,2-c] pyridine-7-carboxylic acid derivatives BARTKOVITZ DAVID J 2007-03-15 US 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-20070060607-A1 4-amino-thieno[3,2-c] pyridine-7-carboxylic acid derivatives BRAF, RAF1, MAP3K7 EPHX2 2946/4885KDR 982/4885HTR2A 4321/4885

“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.