SCHEMBL12424697

SCHEMBL12424697

O=C(CN1CCCC1)Nc1cc(Nc2cc(-c3cc(F)ccc3F)nc3ncccc23)ncn1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
PKM P14618 1/20 0.46
TGFBR1 P36897 1/20 0.40
GSK3B P49841 7/20 0.39
DYRK1A Q13627 7/20 0.39
APP P05067 1/20 0.39
NPC1 O15118 1/20 0.38
WNT1 P04628 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
THRB P10828 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MAP4K4 O95819 2/20 0.37
EGFR P00533 1/20 0.37
FAAH O00519 1/20 0.37

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
SCHEMBL12424696 0.85 CDK9 (0.39) POLBTGFBR1ALDH1A1EGFRFAAH
SCHEMBL12425329 0.84 ABCG2 (0.41) POLBTGFBR1KDM4EALDH1A1MEN1
SCHEMBL12424691 0.84 CDK9 (0.40) POLBTGFBR1EGFRFAAH
SCHEMBL12424830 0.82 ABL1 (0.46) GSK3BDYRK1AWNT1
SCHEMBL12424786 0.79 EGFR (0.44) TGFBR1EGFR
SCHEMBL12425348 0.79 EGFR (0.40) TGFBR1EGFR
SCHEMBL12424769 0.79 ACHE (0.38) APPMEN1KMT2AEGFR
SCHEMBL12424688 0.78 TGFBR1 (0.40) POLBPKMTGFBR1DYRK1ANPC1
SCHEMBL12424683 0.78 EGFR (0.39) TGFBR1EGFR
SCHEMBL12424684 0.78 TGFBR1 (0.37) TGFBR1FAAH

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 POLB 3423/4885PKM 2086/4885TGFBR1 3742/4885

“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.