SCHEMBL6846512

SCHEMBL6846512

CC(C)(C)OC(=O)N1CCN(c2cccc(C(F)(F)F)c2NC(=O)c2cccc(CCc3ccc(N)nc3)c2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.40
PTK2 Q05397 3/20 0.39
MET P08581 1/20 0.38
SCD O00767 1/20 0.37
SCD5 Q86SK9 1/20 0.37
ACHE P22303 1/20 0.37
BACE1 P56817 2/20 0.37
SOS1 Q07889 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
SMARCA2 P51531 1/20 0.37
SMARCA4 P51532 1/20 0.37
PBRM1 Q86U86 1/20 0.37
LIPG Q9Y5X9 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
SCHEMBL6841380 0.90 TRPV1 (0.41) METSCDSCD5ACHEBACE1
SCHEMBL6846514 0.88 TSHR (0.42) PTPN11METSCDSCD5ACHE
SCHEMBL6844794 0.85 MAP3K20 (0.39) METSCDSCD5ACHEBACE1
SCHEMBL6848352 0.85 ALDH1A1 (0.40) METSCDSCD5BACE1SOS1
SCHEMBL6846439 0.80 BACE1 (0.43) BACE1SOS1TSHRCYP2C19TRPV1
SCHEMBL6841382 0.78 WNT3A (0.41) METSCDSCD5ACHEBACE1
SCHEMBL6846837 0.77 MAP3K20 (0.36) METSMN1; SMN2MEN1KMT2ATRPV1
SCHEMBL6846605 0.76 TTR (0.43) BACE1SMN1; SMN2SMARCA2SMARCA4PBRM1
SCHEMBL6844735 0.75 RBP4 (0.43) BACE1SOS1SMN1; SMN2HTTNPSR1
SCHEMBL7228820 0.75 WNT3A (0.43) PTPN11SCDSCD5ACHETSHR

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 PTPN11 747/4885PTK2 160/4885MET 692/4885
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA PTPN11 747/4885PTK2 160/4885MET 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.