SCHEMBL2374093

SCHEMBL2374093

COc1ccc(Cl)cc1NC(=O)CN1CCc2nc3ccccc3c(NCC(=O)N3CCCC3)c2C1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.55
▸ TP53 P04637 2/20 0.54
▸ ALDH1A1 P00352 6/20 0.52
▸ LMNA P02545 2/20 0.52
▸ MAPK1 P28482 1/20 0.49
▸ MAPT P10636 4/20 0.48
▸ THRB P10828 1/20 0.48
▸ KCNT1 Q5JUK3 1/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ IGF1R P08069 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ S1PR2 O95136 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
SCHEMBL14481102 0.99 POLB (0.55) POLBTP53ALDH1A1LMNAMAPK1
SCHEMBL14480905 0.94 POLB (0.56) POLBTP53ALDH1A1LMNAMAPK1
SCHEMBL14481432 0.94 POLB (0.53) POLBTP53ALDH1A1LMNAMAPK1
SCHEMBL2423904 0.93 POLB (0.53) POLBTP53ALDH1A1LMNAMAPK1
SCHEMBL14481007 0.92 POLB (0.52) POLBTP53ALDH1A1LMNAMAPK1
SCHEMBL14480889 0.90 POLB (0.58) POLBTP53ALDH1A1LMNAMAPK1
SCHEMBL14480643 0.89 POLB (0.56) POLBTP53ALDH1A1LMNAMAPK1
SCHEMBL2421390 0.88 POLB (0.59) POLBTP53ALDH1A1LMNAMAPK1
SCHEMBL14483778 0.88 POLB (0.55) POLBTP53ALDH1A1LMNAMAPK1
SCHEMBL14480918 0.87 POLB (0.53) POLBTP53ALDH1A1LMNAMAPK1

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 14 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
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
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
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
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 2874/4885TP53 3946/4885ALDH1A1 3057/4885

“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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