SCHEMBL6844706

SCHEMBL6844706

CC(C)(C)OC(=O)N1CCN(c2cccc(NC(=O)c3ccc(F)c(OCc4cncc(Br)c4)c3)c2C(F)(F)F)CC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 5/20 0.40
RXFP1 Q9HBX9 1/20 0.39
MAPK8 P45983 1/20 0.39
GPR119 Q8TDV5 3/20 0.39
HDAC1 Q13547 3/20 0.38
TSHR P16473 2/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
HSD17B10 Q99714 2/20 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 2/20 0.36
TLR7 Q9NYK1 1/20 0.36

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
SCHEMBL6844702 0.89 GPR119 (0.39) BACE1GPR119CCNT1CCNA2CDK2
SCHEMBL6846655 0.88 ADORA2A (0.38) RXFP1MAPK8GPR119HDAC1TSHR
SCHEMBL6844737 0.81 TOP1 (0.42) BACE1RXFP1MAPK8TSHRHSD17B10
SCHEMBL6846606 0.80 BACE1 (0.44) BACE1RXFP1MAPK8TSHRALDH1A1
SCHEMBL6846600 0.79 MAPT (0.42) BACE1RXFP1MAPK8TSHRALDH1A1
SCHEMBL6846652 0.77 ADORA2A (0.39) GPR119TSHRHSD17B10CCNT1CCNA2
SCHEMBL6848356 0.77 ALDH1A1 (0.43) BACE1RXFP1MAPK8TSHRALDH1A1
SCHEMBL6841242 0.76 MAPT (0.46) GPR119CCNT1CCNA2CDK2CDK9
SCHEMBL6846441 0.75 TSHR (0.47) BACE1RXFP1MAPK8TSHRALDH1A1
SCHEMBL6846841 0.75 HTT (0.37) BACE1RXFP1MAPK8GPR119HDAC1

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 7 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
EP-1228067-A1 5-MEMBERED N-HETEROCYCLIC COMPOUNDS WITH HYPOGYLCEMIC AND HYPOLIPIDEMIC ACTIVITY Takeda Chemical Industries, Ltd. (JP) 2002-08-07 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
WO-2001038325-A1 5-MEMBERED N-HETEROCYCLIC COMPOUNDS WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-31 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 BACE1 2355/4885RXFP1 972/4885MAPK8 64/4885
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA BACE1 2355/4885RXFP1 972/4885MAPK8 64/4885

“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.