SCHEMBL14551913

SCHEMBL14551913

COc1ccc(Nc2c3c(nc4ccccc24)CCN(CC(=O)Nc2cc(Cl)ccc2OC)C3)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.57
▸ TP53 P04637 5/20 0.53
▸ ALDH1A1 P00352 6/20 0.52
▸ MAPT P10636 4/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ LMNA P02545 2/20 0.49
▸ KCNT1 Q5JUK3 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ MAPK1 P28482 1/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ GFER P55789 2/20 0.48
▸ HTT P42858 2/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ USP2 O75604 1/20 0.46

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
SCHEMBL14481013 0.95 POLB (0.60) POLBTP53ALDH1A1MAPTL3MBTL1
SCHEMBL14481096 0.92 POLB (0.57) POLBTP53ALDH1A1MAPTL3MBTL1
SCHEMBL14552002 0.89 POLB (0.55) POLBTP53ALDH1A1MAPTL3MBTL1
SCHEMBL14481222 0.87 POLB (0.56) POLBTP53ALDH1A1MAPTL3MBTL1
SCHEMBL12299750 0.86 POLB (0.65) POLBTP53ALDH1A1MAPTL3MBTL1
SCHEMBL2421390 0.86 POLB (0.59) POLBTP53ALDH1A1MAPTL3MBTL1
SCHEMBL14481159 0.86 POLB (0.64) POLBTP53ALDH1A1MAPTL3MBTL1
SCHEMBL14480889 0.85 POLB (0.58) POLBTP53ALDH1A1MAPTL3MBTL1
SCHEMBL3348041 0.85 POLB (0.63) POLBTP53ALDH1A1MAPTL3MBTL1
SCHEMBL14480643 0.84 POLB (0.56) POLBTP53ALDH1A1MAPTL3MBTL1

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
EP-2552914-B1 BENZONAPHTHYRIDINAMINES AS AUTOTAXIN INHIBITORS MERCK PATENT GMBH (DE) 2015-11-11 — — EP 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-20130012505-A1 BENZONAPHTHYRIDINAMINES AS AUTOTAXIN INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-01-10 — — US 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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