SCHEMBL2319203

SCHEMBL2319203

N#Cc1cccc(NCC(=O)N2CCc3nc4ccccc4c(C(=O)N4CCOCC4)c3C2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 2/20 0.43
▸ PIK3R2 O00459 2/20 0.43
▸ PIK3CA P42336 2/20 0.43
▸ PIK3CB P42338 2/20 0.43
▸ PIK3CG P48736 2/20 0.43
▸ PIK3R5 Q8WYR1 2/20 0.43
▸ PIK3R3 Q92569 2/20 0.43
▸ POLB P06746 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ RECQL P46063 2/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ MCL1 Q07820 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ PDE5A O76074 6/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ USP2 O75604 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40

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
SCHEMBL2323530 0.91 MAPT (0.42) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL2450519 0.91 SMN1; SMN2 (0.43) POLBSMN1; SMN2NPSR1RECQLMEN1
SCHEMBL2449912 0.89 ALDH1A1 (0.45) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL2321559 0.82 MAPT (0.44) SMN1; SMN2NPSR1MEN1KMT2APDE5A
SCHEMBL2317218 0.79 MAPT (0.45) SMN1; SMN2NPSR1MEN1KMT2AALDH1A1
SCHEMBL2322437 0.76 FKBP1A (0.55) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL2451622 0.74 FKBP1A (0.45) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL2321096 0.73 FKBP1A (0.43) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL26454872 0.72 MAPT (0.61) POLBSMN1; SMN2NPSR1MEN1KMT2A
SCHEMBL2322916 0.72 MAPK1 (0.44) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG

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
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 PIK3CD 4596/4885PIK3R2 4329/4885PIK3CA 4528/4885

“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.

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