SCHEMBL6846789

SCHEMBL6846789

CC1CC(NC(=O)c2cccc(CCc3cncc4ccccc34)c2)CC(C)(C)C1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.42
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
ROCK2 O75116 2/20 0.37
KDM4E B2RXH2 1/20 0.37
IDH1 O75874 2/20 0.36
SMYD3 Q9H7B4 2/20 0.36
KMT2A Q03164 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ADAM17 P78536 1/20 0.36
SLC16A3 O15427 1/20 0.35
PDE4B Q07343 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL6846819 0.75 SLC16A3 (0.53) HTTSLC16A3
SCHEMBL6841295 0.74 ADRB2 (0.47) ALDH1A1HTTKDM4EKMT2ASLC16A3
SCHEMBL12858625 0.72 KMT2A (0.65) ATMALDH1A1HTTTDP1KDM4E
SCHEMBL6841197 0.70 SMN1; SMN2 (0.44) ALDH1A1TDP1KDM4EKMT2AL3MBTL1
SCHEMBL6841307 0.70 MMP9 (0.44) ALDH1A1KMT2AL3MBTL1ADAM17PDE4B
SCHEMBL6841219 0.70 CYP4F2 (0.54) ALDH1A1HTTKDM4EKMT2AL3MBTL1
SCHEMBL2916925 0.69 TDP1 (0.59) ATMALDH1A1HTTTDP1KDM4E
SCHEMBL6846857 0.68 NPC1 (0.58) ALDH1A1KDM4EKMT2AL3MBTL1MEN1
SCHEMBL6846851 0.68 MMP9 (0.43) ALDH1A1KDM4EKMT2AL3MBTL1MEN1
SCHEMBL7183196 0.65 TDP1 (0.54) ATMALDH1A1HTTTDP1KDM4E

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 9 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 claimed
EP-1252146-A1 AMIDE COMPOUNDS FOR INHIBITING PROTEIN KINASES AGOURON PHARMACEUTICALS, INC. (US) 2002-10-30 EP claimed
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use AGOURON PHARMACEUTICALS, INC. 2002-08-01 US claimed
WO-2001053274-A1 AMIDE COMPOUNDS FOR INHIBITING PROTEIN KINASES AGOURON PHARMACEUTICALS, INC. (US) 2001-07-26 WO claimed
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 ATM 540/4885ALDH1A1 3632/4885HTT 2716/4885
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA ATM 540/4885ALDH1A1 3632/4885HTT 2716/4885

“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.