SCHEMBL6846600

SCHEMBL6846600

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

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.42
LMNA P02545 5/20 0.42
TP53 P04637 4/20 0.42
BACE1 P56817 1/20 0.40
MAPK8 P45983 1/20 0.40
TSHR P16473 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
CCR8 P51685 1/20 0.39
WDR5 P61964 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL6844737 0.88 TOP1 (0.42) MAPTLMNATP53BACE1MAPK8
SCHEMBL6846596 0.87 MAPT (0.42) MAPTLMNATP53BACE1ALDH1A1
SCHEMBL6846606 0.86 BACE1 (0.44) MAPTLMNATP53BACE1MAPK8
SCHEMBL6846441 0.81 TSHR (0.47) MAPTLMNABACE1MAPK8TSHR
SCHEMBL6844706 0.79 BACE1 (0.40) BACE1MAPK8TSHRHSD17B10RXFP1
SCHEMBL14992499 0.77 PDK2 (0.50) MAPTLMNANPSR1ALDH1A1
SCHEMBL6846655 0.76 ADORA2A (0.38) MAPTMAPK8TSHRNPSR1HSD17B10
SCHEMBL4249931 0.74 GPR119 (0.47) MAPTLMNATP53TSHRNPSR1
SCHEMBL6844735 0.74 RBP4 (0.43) MAPTLMNATP53BACE1NPSR1
SCHEMBL4615332 0.74 GPR119 (0.45) MAPTLMNATP53BACE1MAPK8

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 MAPT 899/4885LMNA 4001/4885TP53 397/4885
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA MAPT 899/4885LMNA 4001/4885TP53 397/4885

“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.