SCHEMBL6846441

SCHEMBL6846441

CC(C)(C)OC(=O)N1CCN(c2cccc(NC(=O)c3cccc(I)c3)c2C(F)(F)F)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.47
HSD17B10 Q99714 1/20 0.47
BACE1 P56817 5/20 0.46
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPK8 P45983 1/20 0.44
MAPT P10636 3/20 0.43
LMNA P02545 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
GFER P55789 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ATM Q13315 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
MAPK1 P28482 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
ALDH1A1 P00352 2/20 0.41
NAMPT P43490 1/20 0.41

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
SCHEMBL6846606 0.86 BACE1 (0.44) TSHRHSD17B10BACE1CYP1A2CYP3A4
SCHEMBL6846439 0.86 BACE1 (0.43) TSHRHSD17B10BACE1CYP1A2CYP3A4
SCHEMBL6844737 0.83 TOP1 (0.42) TSHRHSD17B10BACE1CYP1A2CYP3A4
SCHEMBL6846600 0.81 MAPT (0.42) TSHRHSD17B10BACE1CYP1A2CYP3A4
SCHEMBL6848356 0.80 ALDH1A1 (0.43) TSHRHSD17B10BACE1CYP1A2CYP3A4
SCHEMBL6846514 0.80 TSHR (0.42) TSHRHSD17B10BACE1CYP1A2CYP3A4
SCHEMBL6841382 0.79 WNT3A (0.41) TSHRHSD17B10BACE1MAPK8ATM
SCHEMBL6846898 0.79 LCK (0.45) TSHRHSD17B10BACE1MAPK8RXFP1
SCHEMBL6844797 0.78 MET (0.39) TSHRHSD17B10BACE1MAPK8ATM
SCHEMBL6846828 0.78 LCK (0.44) TSHRHSD17B10BACE1MAPK8RXFP1

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 TSHR 2259/4885HSD17B10 3952/4885BACE1 2355/4885
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA TSHR 2259/4885HSD17B10 3952/4885BACE1 2355/4885

“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.