SCHEMBL6846784

SCHEMBL6846784

CC(C)(C)OC(=O)N1CCN(c2cccc(NC(=O)c3ccc(F)c(C#Cc4cnc5[nH]cnc5c4)c3)c2C(F)(F)F)CC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TEK Q02763 5/20 0.39
LCK P06239 4/20 0.39
KDR P35968 4/20 0.39
F2 P00734 1/20 0.37
POLB P06746 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
RORC P51449 2/20 0.35
BACE1 P56817 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35
ABL1 P00519 1/20 0.35
MAPK8 P45983 1/20 0.35
HDAC1 Q13547 1/20 0.35
GPR119 Q8TDV5 1/20 0.34
ATM Q13315 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL6846828 0.91 LCK (0.44) TEKLCKKDRF2POLB
SCHEMBL6846781 0.89 KDR (0.39) TEKLCKKDRABL1ATM
SCHEMBL6846841 0.84 HTT (0.37) F2POLBHTTTDP1BACE1
SCHEMBL6844797 0.81 MET (0.39) F2POLBHTTTDP1BACE1
SCHEMBL6846825 0.80 ABL1 (0.42) TEKLCKKDRABL1
SCHEMBL6846606 0.78 BACE1 (0.44) HTTBACE1RXFP1MAPK8LMNA
SCHEMBL6846898 0.76 LCK (0.45) TEKLCKRORCBACE1RXFP1
SCHEMBL6846831 0.75 KDR (0.38) TEKLCKKDRABL1MAPK8
SCHEMBL6846832 0.75 KDR (0.38) TEKLCKKDRABL1MAPK8
SCHEMBL6844737 0.75 TOP1 (0.42) BACE1RXFP1MAPK8LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040092747-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BENDER STEVEN LEE (US) 2004-05-13 US disclosed
US-6635641-B2 For treating cancer and other disease states associated with unwanted angiogenesis and/or cellular proliferation such as diabetic retinopathy, neovascular glaucoma, rheumatoid arthritis, psoriasis AGOURON PHARMACEUTICALS, INC. 2003-10-21 US disclosed
EP-1252146-A1 AMIDE COMPOUNDS FOR INHIBITING PROTEIN KINASES AGOURON PHARMACEUTICALS, INC. (US) 2002-10-30 EP disclosed
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use AGOURON PHARMACEUTICALS, INC. 2002-08-01 US disclosed
WO-2001053274-A1 AMIDE COMPOUNDS FOR INHIBITING PROTEIN KINASES AGOURON PHARMACEUTICALS, INC. (US) 2001-07-26 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 (2 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-20040092747-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA TEK 387/4885LCK 90/4885KDR 50/4885
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA TEK 387/4885LCK 90/4885KDR 50/4885

“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.