SCHEMBL12299750

SCHEMBL12299750

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

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.65
▸ TP53 P04637 1/20 0.60
▸ ALDH1A1 P00352 8/20 0.56
▸ LMNA P02545 1/20 0.56
▸ KCNT1 Q5JUK3 1/20 0.53
▸ MAPT P10636 4/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ IGF1R P08069 2/20 0.52
▸ GAA P10253 1/20 0.51
▸ S1PR2 O95136 2/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ THRB P10828 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49

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
SCHEMBL14481159 0.92 POLB (0.64) POLBTP53ALDH1A1LMNAKCNT1
SCHEMBL3348041 0.91 POLB (0.63) POLBTP53ALDH1A1LMNAKCNT1
SCHEMBL14481013 0.89 POLB (0.60) POLBTP53ALDH1A1LMNAKCNT1
SCHEMBL2421390 0.88 POLB (0.59) POLBTP53ALDH1A1LMNAKCNT1
SCHEMBL14480644 0.87 POLB (0.58) POLBTP53ALDH1A1LMNAKCNT1
SCHEMBL14480889 0.87 POLB (0.58) POLBTP53ALDH1A1LMNAKCNT1
SCHEMBL2448301 0.86 POLB (0.59) POLBTP53ALDH1A1LMNAKCNT1
SCHEMBL14481096 0.86 POLB (0.57) POLBTP53ALDH1A1LMNAKCNT1
SCHEMBL14551913 0.86 POLB (0.57) POLBTP53ALDH1A1LMNAKCNT1
SCHEMBL14480890 0.86 POLB (0.57) POLBTP53ALDH1A1LMNAKCNT1

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 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-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 2874/4885TP53 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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