SCHEMBL6841382

SCHEMBL6841382

CC(=O)Nc1ccc(CCc2cccc(C(=O)Nc3cccc(N4CCN(C(=O)OC(C)(C)C)CC4)c3C(F)(F)F)c2)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 1/20 0.41
TSHR P16473 3/20 0.40
HSD17B10 Q99714 1/20 0.40
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
MAPK8 P45983 1/20 0.39
LIPG Q9Y5X9 1/20 0.39
MET P08581 1/20 0.38
ATM Q13315 1/20 0.38
BACE1 P56817 2/20 0.38
ACHE P22303 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
POLB P06746 1/20 0.37
SCD O00767 1/20 0.37
SCD5 Q86SK9 1/20 0.37
CXCR3 P49682 1/20 0.37
RORC P51449 1/20 0.36
PPARG P37231 1/20 0.36
WDR5 P61964 1/20 0.36
UCHL1 P09936 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
SCHEMBL6846514 0.90 TSHR (0.42) TSHRHSD17B10ALDH1A1GAAMAPK8
SCHEMBL6841380 0.88 TRPV1 (0.41) WNT3AMETBACE1ACHESCD
SCHEMBL6846898 0.85 LCK (0.45) TSHRHSD17B10MAPK8BACE1RXFP1
SCHEMBL6844797 0.84 MET (0.39) TSHRHSD17B10ALDH1A1GAAMAPK8
SCHEMBL6848356 0.84 ALDH1A1 (0.43) TSHRHSD17B10ALDH1A1GAAMAPK8
SCHEMBL7228820 0.82 WNT3A (0.43) WNT3ATSHRMAPK8ACHESCD
SCHEMBL7228824 0.82 WNT3A (0.42) WNT3ATSHRMAPK8ACHESCD
SCHEMBL7495243 0.81 RORC (0.37) RORCUCHL1HDAC1
SCHEMBL6846441 0.79 TSHR (0.47) TSHRHSD17B10ALDH1A1MAPK8ATM
SCHEMBL6846512 0.78 PTPN11 (0.40) TSHRALDH1A1GAALIPGMET

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 WNT3A 4092/4885TSHR 2259/4885HSD17B10 3952/4885
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA WNT3A 4092/4885TSHR 2259/4885HSD17B10 3952/4885

“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.