SCHEMBL12424769

SCHEMBL12424769

O=C(CCN1CCNCC1)Nc1cc(Nc2cc(-c3cc(Cl)ccc3F)nc3ncccc23)ncn1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.38
APP P05067 3/20 0.38
BCHE P06276 3/20 0.38
EGFR P00533 6/20 0.38
ERBB3 P21860 3/20 0.38
LMNA P02545 2/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ACP1 P24666 3/20 0.35
PARP3 Q9Y6F1 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TP53 P04637 1/20 0.34
CCND1 P24385 1/20 0.34
CDK6 Q00534 1/20 0.34

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
SCHEMBL12424786 0.87 EGFR (0.44) EGFRERBB3TP53
SCHEMBL12425349 0.84 EGFR (0.45) EGFRERBB3TP53
SCHEMBL12425348 0.83 EGFR (0.40) EGFRERBB3TP53
SCHEMBL12424683 0.82 EGFR (0.39) EGFRERBB3TP53
SCHEMBL12424827 0.81 ACP1 (0.39) EGFRERBB3ACP1TP53
SCHEMBL12426284 0.81 IGF1R (0.41) EGFRERBB3L3MBTL1TP53
SCHEMBL12424829 0.80 GSK3B (0.41) HTT
SCHEMBL12424774 0.80 IGF1R (0.40) EGFRERBB3MEN1KMT2ATP53
SCHEMBL12424840 0.80 EGFR (0.41) EGFRERBB3MEN1KMT2ATP53
SCHEMBL12424841 0.79 ACVR1B (0.45) EGFRERBB3

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-2539336-B1 HETARYLAMINONAPHTHYRIDINES MERCK PATENT GMBH (DE) 2014-10-22 EP disclosed
US-8815893-B2 Hetarylaminonaphthyridines MERCK PATENT GMBH (DE) 2014-08-26 US disclosed
US-8815893-B2 Hetarylaminonaphthyridines MERCK PATENT GMBH (DE) 2014-08-26 US disclosed
US-20120316166-A1 HETARYLAMINONAPHTHYRIDINES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-12-13 US disclosed
US-20120316166-A1 HETARYLAMINONAPHTHYRIDINES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-12-13 US disclosed
WO-2011101069-A2 HETARYLAMINONAPHTHYRIDINES MERCK PATENT GMBH (DE) 2011-08-25 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-20120316166-A1 HETARYLAMINONAPHTHYRIDINES ATP5ME, ATP5F1A, ATP5F1D ACHE 3417/4885APP 3599/4885BCHE 2723/4885

“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.