SCHEMBL12424830

SCHEMBL12424830

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

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 10/20 0.46
CCNT1 O60563 1/20 0.42
CCNE1 P24864 1/20 0.42
CDK2 P24941 1/20 0.42
CDK9 P50750 1/20 0.42
GSK3B P49841 5/20 0.42
DYRK1A Q13627 4/20 0.42
GSK3A P49840 1/20 0.41
CHRM5 P08912 1/20 0.40
DRD5 P21918 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1E P28566 1/20 0.40
HTR1F P30939 1/20 0.40
HTR7 P34969 1/20 0.40
OPRK1 P41145 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
WNT1 P04628 1/20 0.40

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
SCHEMBL12424829 0.93 GSK3B (0.41) ABL1CCNT1CCNE1CDK2CDK9
SCHEMBL12424831 0.92 GSK3B (0.45) ABL1CCNT1CCNE1CDK2CDK9
SCHEMBL12425329 0.85 ABCG2 (0.41) ABL1CDK9
SCHEMBL12424697 0.82 POLB (0.46) GSK3BDYRK1AWNT1
SCHEMBL12424696 0.81 CDK9 (0.39) ABL1CDK9
SCHEMBL12424684 0.80 TGFBR1 (0.37) CCNT1
SCHEMBL12424691 0.80 CDK9 (0.40) ABL1CDK9
SCHEMBL12424690 0.78 GPR39 (0.38) ABL1CCNT1CDK9
SCHEMBL12426539 0.78 TGFBR1 (0.55) CDK2DYRK1AWNT1
SCHEMBL12424688 0.77 TGFBR1 (0.40) DYRK1A

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 ABL1 305/4885CCNT1 123/4885CCNE1 111/4885

“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.