SCHEMBL6844774

SCHEMBL6844774

CC(C)(C)OC(=O)N1CCN(c2cccc(C(F)(F)F)c2CC(=O)c2cccc(C#Cc3cncc(C(=O)O)c3)c2)CC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.40
GPR119 Q8TDV5 4/20 0.37
GBA1 P04062 1/20 0.36
ENPP2 Q13822 1/20 0.36
RORC P51449 1/20 0.36
TTR P02766 1/20 0.35
CKS1B P61024 1/20 0.35
SKP1 P63208 1/20 0.35
SKP2 Q13309 1/20 0.35
ALK Q9UM73 2/20 0.35
SOS1 Q07889 1/20 0.35
ACHE P22303 1/20 0.34
FGFR1 P11362 1/20 0.34
RBP4 P02753 1/20 0.34

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
SCHEMBL6844814 0.92 KDR (0.41) KDRGPR119ALKSOS1FGFR1
SCHEMBL6844776 0.88 KDR (0.40) KDRGPR119GBA1CKS1BSKP1
SCHEMBL6844773 0.87 ACHE (0.38) GPR119GBA1ENPP2RORCTTR
SCHEMBL6844796 0.81 PTK2 (0.40) GPR119SOS1ACHE
SCHEMBL6844817 0.80 KDR (0.41) KDRGPR119ALKACHE
SCHEMBL6844775 0.74 LIPG (0.41) GPR119GBA1CKS1BSKP1SKP2
SCHEMBL15006466 0.71 FGFR1 (0.55) KDRFGFR1
SCHEMBL6846894 0.71 ABL1 (0.43) KDRALK
SCHEMBL5337966 0.69 MGLL (0.45)
SCHEMBL6844798 0.68 LIPG (0.39) GPR119ACHE

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 KDR 50/4885GPR119 646/4885GBA1 2525/4885
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA KDR 50/4885GPR119 646/4885GBA1 2525/4885

“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.