SCHEMBL6844702

SCHEMBL6844702

CC(C)(C)OC(=O)N1CCN(c2cccc(C(F)(F)F)c2NC(=O)c2ccc(F)c(OCc3cncc(Br)c3)c2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.39
BACE1 P56817 4/20 0.37
CCNT1 O60563 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CDK9 P50750 1/20 0.36
CCNA1 P78396 1/20 0.36
TLR9 Q9NR96 3/20 0.36
TLR7 Q9NYK1 2/20 0.36
F10 P00742 1/20 0.36
RBP4 P02753 1/20 0.36
KIT P10721 1/20 0.35
FLT3 P36888 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
TBK1 Q9UHD2 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
SCHEMBL6844706 0.89 BACE1 (0.40) GPR119BACE1CCNT1CCNA2CDK2
SCHEMBL6846652 0.88 ADORA2A (0.39) GPR119CCNT1CCNA2CDK2CDK9
SCHEMBL6844735 0.81 RBP4 (0.43) BACE1RBP4HTTSMN1; SMN2NPSR1
SCHEMBL6846605 0.80 TTR (0.43) BACE1RBP4HTTSMN1; SMN2NPSR1
SCHEMBL6846596 0.79 MAPT (0.42) BACE1RBP4LMNAMAPT
SCHEMBL6841242 0.79 MAPT (0.46) GPR119CCNT1CCNA2CDK2CDK9
SCHEMBL6846655 0.77 ADORA2A (0.38) GPR119CCNT1CCNA2CDK2CDK9
SCHEMBL6848352 0.77 ALDH1A1 (0.40) BACE1RBP4SMN1; SMN2LMNAMAPT
Hydrochloric Acid SCHEMBL6846824 0.75 MAPT (0.46) SMN1; SMN2TAAR1MAPT
SCHEMBL6846837 0.75 MAP3K20 (0.36) GPR119KITFLT3HTTSMN1; SMN2

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 GPR119 646/4885BACE1 2355/4885CCNT1 441/4885
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA GPR119 646/4885BACE1 2355/4885CCNT1 441/4885

“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.