SCHEMBL6844798

SCHEMBL6844798

CC(C)(C)OC(=O)N1CCN(c2cccc(CC(=O)c3cccc(CCc4cncc(C(N)=O)c4)c3)c2C(F)(F)F)CC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.39
PARP14 Q460N5 1/20 0.38
PTK2 Q05397 2/20 0.37
ACHE P22303 2/20 0.37
GPR119 Q8TDV5 6/20 0.36
SMARCA2 P51531 1/20 0.36
SMARCA4 P51532 1/20 0.36
PBRM1 Q86U86 1/20 0.36
MET P08581 1/20 0.36
PDK2 Q15119 1/20 0.35
RIPK1 Q13546 1/20 0.35
NAMPT P43490 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
SCHEMBL6844775 0.94 LIPG (0.41) LIPGACHEGPR119SMARCA2SMARCA4
SCHEMBL6844796 0.88 PTK2 (0.40) LIPGPARP14PTK2ACHEGPR119
Hydrochloric Acid SCHEMBL6841254 0.85 PTK2 (0.42) PTK2RIPK1
SCHEMBL6844773 0.81 ACHE (0.38) LIPGACHEGPR119METPDK2
SCHEMBL6844776 0.81 KDR (0.40) LIPGACHEGPR119MET
SCHEMBL6844817 0.79 KDR (0.41) ACHEGPR119MET
SCHEMBL6848356 0.79 ALDH1A1 (0.43) LIPGMET
SCHEMBL6848352 0.74 ALDH1A1 (0.40) LIPGMET
Hydrochloric Acid SCHEMBL6841253 0.73 PTK2 (0.45) PTK2RIPK1
SCHEMBL6846514 0.72 TSHR (0.42) LIPGACHEMET

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 LIPG 478/4885PARP14 1705/4885PTK2 160/4885
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA LIPG 478/4885PARP14 1705/4885PTK2 160/4885

“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.