SCHEMBL14480919

SCHEMBL14480919

COc1ccc(Cl)cc1NC(=O)CN1CCc2nc3ccccc3c(N(C)C(=O)NC3CCCCC3)c2C1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 4/20 0.52
▸ TP53 P04637 1/20 0.51
▸ ALDH1A1 P00352 6/20 0.49
▸ MAPK1 P28482 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ MEN1 O00255 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ MAPT P10636 2/20 0.45
▸ THRB P10828 1/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.44
▸ ALPL P05186 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ KCNT1 Q5JUK3 1/20 0.43
▸ ABL1 P00519 1/20 0.43
▸ RIN1 Q13671 1/20 0.43
▸ USP2 O75604 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
SCHEMBL14480890 0.89 POLB (0.57) POLBTP53ALDH1A1MAPK1LMNA
SCHEMBL14480644 0.87 POLB (0.58) POLBTP53ALDH1A1MAPK1LMNA
SCHEMBL14483779 0.86 POLB (0.56) POLBTP53ALDH1A1MAPK1LMNA
SCHEMBL14480918 0.85 POLB (0.53) POLBTP53ALDH1A1MAPK1LMNA
SCHEMBL12299750 0.82 POLB (0.65) POLBTP53ALDH1A1MAPK1LMNA
SCHEMBL14481159 0.81 POLB (0.64) POLBTP53ALDH1A1MAPK1LMNA
SCHEMBL3348041 0.81 POLB (0.63) POLBTP53ALDH1A1MAPK1LMNA
SCHEMBL2316254 0.81 ALDH1A1 (0.54) POLBTP53ALDH1A1MAPK1LMNA
SCHEMBL2315676 0.80 ALDH1A1 (0.53) POLBTP53ALDH1A1MAPK1LMNA
SCHEMBL2429077 0.80 POLB (0.57) POLBTP53ALDH1A1MAPK1LMNA

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 6 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-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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