SCHEMBL2423904

SCHEMBL2423904

COc1ccc(Cl)cc1NC(=O)CN1CCc2nc3ccccc3c(NCC(=O)N3CCN(Cc4ccccc4)CC3)c2C1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 4/20 0.53
▸ ALDH1A1 P00352 7/20 0.50
▸ MAPK1 P28482 2/20 0.50
▸ MAPT P10636 2/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ TP53 P04637 2/20 0.49
▸ LMNA P02545 2/20 0.46
▸ KCNT1 Q5JUK3 1/20 0.45
▸ RBP4 P02753 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL14480905 0.93 POLB (0.56) POLBALDH1A1MAPK1MAPTL3MBTL1
SCHEMBL2374093 0.93 POLB (0.55) POLBALDH1A1MAPK1MAPTL3MBTL1
SCHEMBL14481102 0.92 POLB (0.55) POLBALDH1A1MAPK1MAPTL3MBTL1
SCHEMBL14481007 0.91 POLB (0.52) POLBALDH1A1MAPK1MAPTL3MBTL1
SCHEMBL14481432 0.91 POLB (0.53) POLBALDH1A1MAPK1MAPTL3MBTL1
SCHEMBL14480889 0.88 POLB (0.58) POLBALDH1A1MAPK1MAPTL3MBTL1
SCHEMBL2451480 0.87 ALDH1A1 (0.58) POLBALDH1A1MAPK1MAPTL3MBTL1
SCHEMBL14480643 0.86 POLB (0.56) POLBALDH1A1MAPK1MAPTL3MBTL1
SCHEMBL2421390 0.85 POLB (0.59) POLBALDH1A1MAPK1MAPTL3MBTL1
SCHEMBL14483778 0.85 POLB (0.55) POLBALDH1A1MAPK1MAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2552914-B1 BENZONAPHTHYRIDINAMINES AS AUTOTAXIN INHIBITORS MERCK PATENT GMBH (DE) 2015-11-11 — — EP claimed
US-9029387-B2 Benzonaphthyridinamines as autotaxin inhibitors MERCK PATENT GMBH (DE) 2015-05-12 — — US claimed
US-20130012505-A1 BENZONAPHTHYRIDINAMINES AS AUTOTAXIN INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-01-10 — — US claimed
EP-2552914-B1 BENZONAPHTHYRIDINAMINES AS AUTOTAXIN INHIBITORS MERCK PATENT GMBH (DE) 2015-11-11 — — EP disclosed
US-9029387-B2 Benzonaphthyridinamines as autotaxin inhibitors MERCK PATENT GMBH (DE) 2015-05-12 — — US disclosed
US-9029387-B2 Benzonaphthyridinamines as autotaxin inhibitors MERCK PATENT GMBH (DE) 2015-05-12 — — US disclosed
EP-2552914-A1 BENZONAPHTHYRIDINAMINES AS AUTOTAXIN INHIBITORS Merck Patent GmbH (DE) 2013-02-06 — — EP disclosed
US-20130012505-A1 BENZONAPHTHYRIDINAMINES AS AUTOTAXIN INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-01-10 — — US disclosed
US-20130012505-A1 BENZONAPHTHYRIDINAMINES AS AUTOTAXIN INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-01-10 — — US disclosed
WO-2011116867-A1 BENZONAPHTHYRIDINAMINES AS AUTOTAXIN INHIBITORS MERCK PATENT GMBH (DE) 2011-09-29 — — 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-20130012505-A1 BENZONAPHTHYRIDINAMINES AS AUTOTAXIN INHIBITORS ENPP2, LYPLAL1, LYPLA1 POLB 2874/4885ALDH1A1 3057/4885MAPK1 1895/4885

“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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