SCHEMBL2322111

SCHEMBL2322111

O=C(c1c2c(nc3ccccc13)CCN(CC(=O)N1CCc3ccc(Cl)cc31)C2)N1CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 4/20 0.44
▸ DRD4 P21917 4/20 0.44
▸ KMT2A Q03164 4/20 0.42
▸ LMNA P02545 3/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ XIAP P98170 1/20 0.42
▸ BIRC2 Q13490 1/20 0.42
▸ MAPT P10636 3/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ ROCK1 Q13464 1/20 0.40
▸ ALDH1A1 P00352 6/20 0.40
▸ TP53 P04637 1/20 0.40
▸ HPGD P15428 1/20 0.39
▸ ADRA1D P25100 1/20 0.39
▸ ADRA1A P35348 1/20 0.39
▸ ADRA1B P35368 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ RAB9A P51151 1/20 0.38

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
SCHEMBL2319375 0.85 ALDH1A1 (0.56) KMT2ALMNAMEN1NPSR1MAPT
SCHEMBL2318191 0.82 DRD2 (0.43) DRD2DRD4KMT2ALMNAMEN1
SCHEMBL2320616 0.82 ALDH1A1 (0.41) LMNAMAPTMAPK1ALDH1A1TP53
SCHEMBL2447807 0.81 PKM (0.43) DRD2DRD4KMT2ALMNAMEN1
SCHEMBL2322929 0.80 LMNA (0.47) KMT2ALMNAMEN1NPSR1MAPT
SCHEMBL2321536 0.80 MAPT (0.48) DRD4KMT2ALMNANPSR1MAPT
SCHEMBL2445695 0.79 LMNA (0.47) KMT2ALMNAMEN1NPSR1MAPT
SCHEMBL2320640 0.79 ALDH1A1 (0.60) KMT2ALMNAMEN1NPSR1MAPT
SCHEMBL2445770 0.78 LMNA (0.43) KMT2ALMNAMEN1NPSR1MAPT
SCHEMBL2323535 0.78 POLB (0.56) KMT2ALMNAMEN1MAPTMAPK1

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-20110230471-A1 BENZONAPHTYRIDINE COMPOUNDS AS INHIBITORS OF AUTOTAXIN MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-09-22 — — US disclosed
US-20110230471-A1 BENZONAPHTYRIDINE COMPOUNDS AS INHIBITORS OF AUTOTAXIN MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-09-22 — — US disclosed
US-20110230471-A1 BENZONAPHTYRIDINE COMPOUNDS AS INHIBITORS OF AUTOTAXIN MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-09-22 — — US disclosed
EP-2352733-A1 BENZONAPHTYRIDINE COMPOUNDS USED AS INHIBITORS OF AUTOTAXIN Merck Patent GmbH (DE) 2011-08-10 — — EP disclosed
WO-2010060532-A1 BENZONAPHTYRIDINE COMPOUNDS USED AS INHIBITORS OF AUTOTAXIN MERCK PATENT GMBH (DE) 2010-06-03 — — 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-20110230471-A1 BENZONAPHTYRIDINE COMPOUNDS AS INHIBITORS OF AUTOTAXIN ENPP2, TPX2, TPD52L2 DRD2 173/4885DRD4 290/4885KMT2A 1069/4885

“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.

Send feedback