SCHEMBL4453531

SCHEMBL4453531

COc1cccn(-c2cc(F)c(N)c(F)c2)c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.39
EGFR P00533 1/20 0.38
CYP1A2 P05177 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36
TUBB2A Q13885 1/20 0.36
TUBB8 Q3ZCM7 1/20 0.36
TUBA3E Q6PEY2 1/20 0.36
TUBA1A Q71U36 1/20 0.36
TUBA1C Q9BQE3 1/20 0.36
TUBB6 Q9BUF5 1/20 0.36
TUBB2B Q9BVA1 1/20 0.36
TUBB1 Q9H4B7 1/20 0.36
GAA P10253 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
SCHEMBL4445693 0.86 TUBB4A (0.43) FFAR4EGFRCYP1A2L3MBTL1TUBB4A
SCHEMBL1945001 0.80 L3MBTL1 (0.47) CYP1A2L3MBTL1GAARAB9ARIPK3
SCHEMBL10059740 0.76 GAA (0.46) CYP1A2L3MBTL1GAARAB9A
SCHEMBL27261451 0.72 ALDH1A1 (0.41) EGFRCYP1A2L3MBTL1GAAGRM1
SCHEMBL21186941 0.72 LMNA (0.40) L3MBTL1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3419901 0.72 NQO2 (0.40) CYP1A2L3MBTL1TUBB4ATUBBTUBA3C
SCHEMBL3686796 0.70 NR4A1 (0.44) L3MBTL1GAAGRM1MAPT
SCHEMBL3749826 0.69 CYP3A4 (0.44) GAANPSR1MAPT
SCHEMBL3680747 0.68 NR4A1 (0.40) GAAMAPT
SCHEMBL27253959 0.68 ELANE (0.39) CYP1A2L3MBTL1GAAGRM1JAK2

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-7550487-B2 Pyrrolidine-3,4-dicarboxamide derivatives HOFFMANN-LA ROCHE INC. (US) 2009-06-23 US disclosed
EP-1732918-B1 NOVEL PYRROLIDINE-3,4-DICARBOXAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-11-12 EP disclosed
EP-1732918-A1 NOVEL PYRROLIDINE-3,4-DICARBOXAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-12-20 EP disclosed
WO-2005092881-A1 NOVEL PYRROLIDINE-3,4-DICARBOXAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-10-06 WO disclosed
US-20050215599-A1 Pyrrolidine-3,4-dicarboxamide derivatives F. HOFFMANN-LA ROCHE AG (CH) 2005-09-29 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-20050215599-A1 Pyrrolidine-3,4-dicarboxamide derivatives F9, F2, F12 FFAR4 4087/4885EGFR 2802/4885CYP1A2 563/4885

“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.