SCHEMBL12424829

SCHEMBL12424829

CN1CCC(C(=O)Nc2cc(Nc3cc(-c4cc(Cl)ccc4F)nc4ncccc34)ncn2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 6/20 0.41
DYRK1A Q13627 5/20 0.41
RBP4 P02753 1/20 0.41
MALT1 Q9UDY8 5/20 0.41
CCNT1 O60563 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
CDK9 P50750 1/20 0.40
WNT1 P04628 2/20 0.39
MKNK1 Q9BUB5 2/20 0.39
MKNK2 Q9HBH9 2/20 0.39
EIF4E P06730 1/20 0.39
CYP3A4 P08684 1/20 0.38
TGFBR1 P36897 1/20 0.38
HTT P42858 1/20 0.38
ABL1 P00519 1/20 0.38
GSK3A P49840 1/20 0.38
CHRM5 P08912 1/20 0.38
DRD5 P21918 1/20 0.38
HTR1D P28221 1/20 0.38

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
SCHEMBL12424830 0.93 ABL1 (0.46) GSK3BDYRK1ACCNT1CCNE1CDK2
SCHEMBL12424831 0.91 GSK3B (0.45) GSK3BDYRK1ACCNT1CCNE1CDK2
SCHEMBL12426284 0.85 IGF1R (0.41) TGFBR1
SCHEMBL12424774 0.84 IGF1R (0.40) CYP3A4TGFBR1
SCHEMBL12425340 0.83 IGF1R (0.41) TGFBR1
SCHEMBL12426286 0.82 IGF1R (0.39) CYP3A4TGFBR1
SCHEMBL12424683 0.81 EGFR (0.39) TGFBR1
SCHEMBL12425348 0.81 EGFR (0.40) CYP3A4TGFBR1
SCHEMBL12424786 0.81 EGFR (0.44) CYP3A4TGFBR1
SCHEMBL12424827 0.81 ACP1 (0.39) GSK3BDYRK1ACCNT1CCNE1CDK2

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 GSK3B 2238/4885DYRK1A 1177/4885RBP4 3984/4885

“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.