SCHEMBL6844737

SCHEMBL6844737

CC(=O)Oc1cc(C(=O)Nc2cccc(N3CCN(C(=O)OC(C)(C)C)CC3)c2C(F)(F)F)ccc1F

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 1/20 0.42
BACE1 P56817 5/20 0.42
MAPT P10636 4/20 0.41
LMNA P02545 3/20 0.41
TP53 P04637 2/20 0.41
TSHR P16473 2/20 0.41
HSD17B10 Q99714 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPK8 P45983 1/20 0.40
WDR5 P61964 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39
S1PR2 O95136 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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 0.88 BACE1 (0.44) BACE1MAPTLMNATP53TSHR
SCHEMBL6846600 0.88 MAPT (0.42) BACE1MAPTLMNATP53TSHR
SCHEMBL6844735 0.86 RBP4 (0.43) BACE1MAPTLMNATP53NPSR1
SCHEMBL6846441 0.83 TSHR (0.47) BACE1MAPTLMNATSHRHSD17B10
SCHEMBL6844706 0.81 BACE1 (0.40) BACE1TSHRHSD17B10RXFP1MAPK8
SCHEMBL6846655 0.78 ADORA2A (0.38) MAPTTSHRHSD17B10RXFP1CYP1A2
SCHEMBL4615332 0.76 GPR119 (0.45) BACE1MAPTLMNATP53TSHR
SCHEMBL6846514 0.75 TSHR (0.42) BACE1TSHRHSD17B10RXFP1CYP1A2
SCHEMBL6846784 0.75 TEK (0.39) BACE1MAPTLMNARXFP1MAPK8
SCHEMBL6846841 0.75 HTT (0.37) BACE1LMNATSHRHSD17B10RXFP1

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 TOP1 3356/4885BACE1 2355/4885MAPT 899/4885
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA TOP1 3356/4885BACE1 2355/4885MAPT 899/4885

“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.