SCHEMBL2373611

SCHEMBL2373611

CN(C)CCNc1c2c(nc3ccccc13)CCN(C(=O)O)C2

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 0.64
EIF4H Q15056 1/20 0.64
HRH3 Q9Y5N1 4/20 0.63
HRH2 P25021 1/20 0.55
HRH1 P35367 1/20 0.55
RAD52 P43351 1/20 0.55
ACHE P22303 6/20 0.54
BCHE P06276 1/20 0.51

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
SCHEMBL14481173 0.87 BCHE (0.53) HRH3RAD52ACHEBCHE
Hydrochloric Acid SCHEMBL31087706 0.78 PABPC1 (0.97) PABPC1EIF4HHRH3HRH2HRH1
SCHEMBL12300219 0.77 TP53 (0.50) PABPC1EIF4HHRH3
SCHEMBL2423836 0.76 POLB (0.56) PABPC1EIF4HHRH3
SCHEMBL12300220 0.75 PABPC1 (0.71) PABPC1EIF4HHRH3HRH2HRH1
Hydrochloric Acid SCHEMBL31087709 0.71 RAD52 (1.00) PABPC1EIF4HHRH3HRH2HRH1
SCHEMBL9736923 0.71 PABPC1 (0.69) PABPC1EIF4HHRH3HRH2HRH1
SCHEMBL9874867 0.70 PABPC1 (0.71) PABPC1EIF4HHRH3HRH2HRH1
SCHEMBL11838833 0.70 ALDH1A1 (0.49)
SCHEMBL8523409 0.70 ACHE (0.81) PABPC1EIF4HHRH3HRH2HRH1

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 8 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
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
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 PABPC1 1295/4885EIF4H 4825/4885HRH3 496/4885

“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.