SCHEMBL6848352

SCHEMBL6848352

COC(=O)c1cncc(CCc2cccc(C(=O)Nc3c(N4CCN(C(=O)OC(C)(C)C)CC4)cccc3C(F)(F)F)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
ACKR3 P25106 1/20 0.39
MET P08581 1/20 0.38
SCD O00767 1/20 0.37
SCD5 Q86SK9 1/20 0.37
BACE1 P56817 2/20 0.37
SOS1 Q07889 1/20 0.37
RBP4 P02753 2/20 0.37
TRPV1 Q8NER1 2/20 0.36
REV1 Q9UBZ9 1/20 0.36
LIPG Q9Y5X9 1/20 0.36
MAP3K20 Q9NYL2 1/20 0.36
ALK Q9UM73 2/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL6848356 0.88 ALDH1A1 (0.43) ALDH1A1ACKR3METSCDSCD5
SCHEMBL6846512 0.85 PTPN11 (0.40) ALDH1A1METSCDSCD5BACE1
SCHEMBL6844794 0.84 MAP3K20 (0.39) METSCDSCD5BACE1TRPV1
SCHEMBL6841380 0.84 TRPV1 (0.41) METSCDSCD5BACE1TRPV1
SCHEMBL6846439 0.80 BACE1 (0.43) BACE1SOS1RBP4TRPV1MAPT
SCHEMBL6844796 0.79 PTK2 (0.40) METSOS1LIPG
SCHEMBL6844773 0.79 ACHE (0.38) METSCDSCD5SOS1RBP4
SCHEMBL6844702 0.77 GPR119 (0.39) BACE1RBP4ALKLMNAMAPT
SCHEMBL6846605 0.76 TTR (0.43) BACE1RBP4LMNAMAPTSMN1; SMN2
SCHEMBL6846837 0.75 MAP3K20 (0.36) METTRPV1MAP3K20LMNAMAPT

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 ALDH1A1 3632/4885ACKR3 1839/4885MET 692/4885
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA ALDH1A1 3632/4885ACKR3 1839/4885MET 692/4885

“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.