SCHEMBL2296572

SCHEMBL2296572

CN(c1ccc(N2CCOCC2)cc1)c1nccc2ncccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.45
CDK8 P49336 1/20 0.45
PLK4 O00444 2/20 0.44
KDR P35968 2/20 0.43
ACVR1B P36896 2/20 0.43
TGFBR1 P36897 2/20 0.43
TGFBR2 P37173 1/20 0.43
BMPR2 Q13873 1/20 0.43
PRKAB1 Q9Y478 1/20 0.43
FGFR1 P11362 1/20 0.42
EPHB4 P54760 1/20 0.42
PIK3CA P42336 1/20 0.41
EGFR P00533 1/20 0.41
SLC2A1 P11166 1/20 0.41
BMPR1B O00238 1/20 0.41
PDGFRB P09619 1/20 0.41
KIT P10721 1/20 0.41
PDGFRA P16234 1/20 0.41
BMPR1A P36894 1/20 0.41
ACVRL1 P37023 1/20 0.41

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
SCHEMBL4890770 0.74 EGFR (0.45) EGFRPTK2LMNAAHR
SCHEMBL22050038 0.73 PTK2 (0.65) PIK3CAPTK2LMNA
SCHEMBL27778735 0.69 CBFB (0.55) PIK3CASLC2A1SYKLMNA
SCHEMBL27764233 0.69 MAPT (0.52) EGFRSYKLMNA
SCHEMBL19829015 0.67 METAP1 (0.57) PLK4PIK3CAPTK2
SCHEMBL28025289 0.67 ALDH1A1 (0.42) PIK3CALMNA
SCHEMBL9094196 0.67 SLC2A1 (0.67) PLK4SLC2A1LMNA
SCHEMBL22453701 0.67 MAPT (0.50) PIK3CASLC2A1KDM4CLMNA
SCHEMBL17602226 0.67 GAA (0.49) PIK3CASLC2A1LMNA
SCHEMBL13799678 0.66 ADRA2A (0.75) PLK4SLC2A1KDM1A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110201608-A1 SUBSTITUTED NAPHTHYRIDINES AND USE THEREOF AS MEDICINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-18 US 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-20110201608-A1 SUBSTITUTED NAPHTHYRIDINES AND USE THEREOF AS MEDICINES NR4A1, NR4A3, NR0B1 CCNC 1355/4885CDK8 2862/4885PLK4 1776/4885

“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.