SCHEMBL6644792

SCHEMBL6644792

CNc1cc(C(=O)OC)nc(NC)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.43
ACHE P22303 1/20 0.43
MAPK1 P28482 2/20 0.40
NQO2 P16083 3/20 0.39
BACE1 P56817 1/20 0.38
MAPT P10636 3/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 2/20 0.38
HTR6 P50406 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
GAA P10253 2/20 0.38
APEX1 P27695 1/20 0.37
BLM P54132 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP1A2 P05177 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
SCHEMBL512745 0.81 NQO2 (0.44) MAOAACHEMAPK1NQO2ALDH1A1
SCHEMBL11445700 0.73 MAPT (0.50) MAPTALDH1A1KDM4EHTR6CYP3A4
SCHEMBL1788322 0.71 KDM4E (0.46) MAOAACHEMAPK1MAPTALDH1A1
SCHEMBL5218939 0.70 PIK3CB (0.53) MAPK1ALDH1A1KDM4EGAAMEN1
SCHEMBL9034755 0.70 MAPK1 (0.48) MAPK1NQO2MAPTALDH1A1KDM4E
SCHEMBL18247131 0.69 GRM5 (0.51) MAOAACHEMAPTALDH1A1KDM4E
SCHEMBL29597769 0.69 GRM5 (0.51) MAOAACHEMAPTALDH1A1KDM4E
SCHEMBL10479256 0.69 MAPK1 (0.47) MAPK1NQO2MAPTALDH1A1KDM4E
SCHEMBL14653302 0.69 SMN1; SMN2 (0.49) MAPK1NQO2BACE1MAPTALDH1A1
SCHEMBL3753277 0.69 MAPK1 (0.47) MAPK1NQO2BACE1MAPTALDH1A1

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
EP-0948495-B1 ARYL AND HETEROARYL SUBSTITUTED FUSED PYRROLE ANTIINFLAMMATORY AGENTS AMGEN INC (US) 2004-04-14 EP disclosed
US-6605634-B2 Tumor necrosis factor alpha and interleukin-1 (IL-1) mediated diseases; pain, diabetes; cyclooxygenase inhibition AMGEN, INC. 2003-08-12 US disclosed
US-20030096819-A1 Aryl and heteroaryl substituted fused pyrrole anti-inflammatory agents AMGEN INC. 2003-05-22 US disclosed
US-6440973-B1 Aryl and heteroaryl substituted fused pyrrole antiinflammatory agents AMGEN INC. 2002-08-27 US disclosed
US-6180643-B1 ANTAGONIST OF INTERLEUKINS, TUMOR NECROSIS FACTOR AMGEN INC. 2001-01-30 US disclosed
CN-1246856-A Aryl and heteroaryl substituted fused pyrrole antiinflammatory agents AMGEN INC (US) 2000-03-08 CN 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-20030096819-A1 Aryl and heteroaryl substituted fused pyrrole anti-inflammatory agents TNF, IL1A, IL6 MAOA 2252/4885ACHE 1349/4885MAPK1 573/4885

“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.