SCHEMBL5558505

SCHEMBL5558505

COC(=O)c1cccc(-c2cccnc2C)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
HPGD P15428 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MKNK1 Q9BUB5 1/20 0.51
MKNK2 Q9HBH9 1/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
AXL P30530 1/20 0.51
NEK1 Q96PY6 4/20 0.51
ALOX15 P16050 1/20 0.50
HTT P42858 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
CDK8 P49336 1/20 0.49
GRM5 P41594 1/20 0.47
SLC40A1 Q9NP59 1/20 0.47
GABRG2 P18507 1/20 0.47
GABRB3 P28472 1/20 0.47

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
SCHEMBL15730176 0.84 MKNK2 (0.55) MKNK1MKNK2CDK8GRM5ABL1
SCHEMBL418337 0.83 SLC40A1 (0.57) ALDH1A1HPGDL3MBTL1NPC1RAB9A
SCHEMBL15730264 0.83 MKNK1 (0.51) MKNK1MKNK2CDK8SCN5ASCN9A
SCHEMBL15730523 0.82 MKNK1 (0.70) MKNK1MKNK2NPC1RAB9ACDK8
SCHEMBL2083887 0.82 ERN1 (0.52) ALDH1A1HPGDL3MBTL1NPC1RAB9A
SCHEMBL5558179 0.82 CDK8 (0.56) ALDH1A1HPGDL3MBTL1NPC1RAB9A
SCHEMBL27597178 0.81 MKNK1 (0.49) MKNK1MKNK2ABL1SCN5ASCN9A
SCHEMBL21819238 0.80 MKNK1 (0.49) ALDH1A1HPGDL3MBTL1MKNK1MKNK2
SCHEMBL15730268 0.80 MTOR (0.58) MKNK1MKNK2ERN1SCN5ASCN9A
SCHEMBL16749656 0.80 CA12 (0.58) NPC1RAB9AAXLNEK1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111978200-B Biphenylamide derivative, preparation method and application 湖北省生物农药工程研究中心 2022-09-13 CN disclosed
CN-111978200-A Bibenzamide derivative and preparation method and application thereof 湖北省生物农药工程研究中心 2020-11-24 CN disclosed
CN-105073751-B The substituted imidazoles new as Casein kinase 1 δ/epsilon inhibitor 百时美施贵宝公司 2018-11-30 CN disclosed
CN-105073751-A Novel substituted imidazoles as casein kinase 1 [delta]/[epsilon] inhibitors BRISTOL MYERS SQUIBB CO 2015-11-18 CN disclosed
EP-1474416-B1 DIHYDROBENZODIAZEPIN-2-ONE-DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS HOFFMANN LA ROCHE (CH) 2007-09-26 EP disclosed
US-6949542-B2 Dihydro-benzo[b][1,4]diazepin-2-one derivatives HOFFMAN-LA ROCHE INC. (US) 2005-09-27 US disclosed
EP-1474416-A1 DIHYDROBENZODIAZEPIN-2-ONE-DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2004-11-10 EP disclosed
US-20030166639-A1 Dihydro-benzo[b][1,4]diazepin-2-one derivatives F. HOFFMAN-LA ROCHE AG (CH) 2003-09-04 US disclosed
WO-2003066623-A1 DIHYDROBENZODIAZEPIN-2-ONE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2003-08-14 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-20030166639-A1 Dihydro-benzo[b][1,4]diazepin-2-one derivatives CYP1B1, GRIN2B, CYP4B1 ALDH1A1 314/4885HPGD 237/4885L3MBTL1 2678/4885

“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.