SCHEMBL17207294

SCHEMBL17207294

Cn1nc(-c2ccc(F)cc2F)nc1CC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKD3 O94806 2/20 0.36
MAP4K4 O95819 2/20 0.36
EGFR P00533 2/20 0.36
CSNK1D P48730 2/20 0.36
MINK1 Q8N4C8 2/20 0.36
PRKD2 Q9BZL6 2/20 0.36
ERBB2 P04626 1/20 0.36
MARK3 P27448 1/20 0.36
MAPK9 P45984 1/20 0.36
GSK3B P49841 1/20 0.36
DYRK1A Q13627 1/20 0.36
TAOK1 Q7L7X3 1/20 0.36
PDE10A Q9Y233 1/20 0.35
KIT P10721 1/20 0.35
PIM1 P11309 1/20 0.35
FLT3 P36888 1/20 0.35
CDK7 P50613 1/20 0.35
KCNH2 Q12809 1/20 0.35
PIM3 Q86V86 1/20 0.35
HASPIN Q8TF76 1/20 0.35

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
SCHEMBL9831028 0.71 HSD11B1 (0.37) PDE10AMAPK14GRM5KDM4EMEN1
SCHEMBL9830769 0.69 HSD11B1 (0.53)
SCHEMBL12776145 0.68 NPC1 (0.35) PDE10AAOC3MEN1PKMKMT2A
SCHEMBL9831021 0.68 HSD11B1 (0.42) MAPK14GRM5
SCHEMBL12759458 0.68 TDP2 (0.49) PDE10AKDM4EMEN1KMT2AGRM2
SCHEMBL12832520 0.68 MAPT (0.44) DYRK1AKCNH2KDM4EPOLB
SCHEMBL12776140 0.66 RAB9A (0.52) EGFRKDM4EMEN1POLBPKM
SCHEMBL13153207 0.66 LMNA (0.42) CNR1CNR2KDM4EPOLB
SCHEMBL24407519 0.65 GAA (0.40) PDE10ADPP4F2RL3MAPK14AOC3
SCHEMBL3800985 0.65 F2RL3 (0.39) CSNK1DPDE10AKITPIM1FLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150311455-A1 Method Of Forming Metal Complex Compound, And Organic Electroluminescence Device UDC IRELAND LTD (IE) 2015-10-29 US disclosed
US-20150311455-A1 Method Of Forming Metal Complex Compound, And Organic Electroluminescence Device UDC IRELAND LTD (IE) 2015-10-29 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-20150311455-A1 Method Of Forming Metal Complex Compound, And Organic Electroluminescence Device ZFR, PORCN, OR10J3 PRKD3 4857/4885MAP4K4 3545/4885EGFR 2299/4885

“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.