SCHEMBL12424699

SCHEMBL12424699

CC(C)Oc1cccc(-c2cc(Nc3ccncn3)c3cccnc3n2)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 4/20 0.50
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAP4K4 O95819 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
MPL P40238 1/20 0.39
ABCG2 Q9UNQ0 10/20 0.38
KDR P35968 1/20 0.37
WDR5 P61964 1/20 0.36

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
SCHEMBL2301037 0.76 TGFBR1 (0.53) ACP1
SCHEMBL2299215 0.72 ACP1 (0.43) ACP1MPL
SCHEMBL2299819 0.72 TGFBR1 (0.47) ACP1KDM4EMPL
SCHEMBL11967593 0.71 TEK (0.41) KDM4EALDH1A1LMNAGAAHPGD
SCHEMBL14344489 0.71 ABCG2 (0.66) KDM4ELMNAHPGDKMT2AABCG2
SCHEMBL2297302 0.69 TGFBR1 (0.47) ACP1MPL
SCHEMBL2300323 0.68 MPL (0.49) ACP1MPLABCG2
SCHEMBL12090556 0.67 ACP1 (0.64) ACP1KDM4EALDH1A1ABCG2
SCHEMBL15976495 0.67 ACP1 (0.40) ACP1MPL
SCHEMBL12425137 0.67 TGFBR1 (0.49) ACP1MAP4K4ABCG2

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 ACP1 3553/4885KDM4E 3526/4885ALDH1A1 2804/4885

“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.