SCHEMBL6844807

SCHEMBL6844807

CC(=O)Oc1ccc(C(=O)Nc2cccc(OCc3cncc4ccccc34)c2)cc1C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
TOP1 P11387 1/20 0.45
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TP53 P04637 2/20 0.43
HTT P42858 2/20 0.43
ALDH1A1 P00352 1/20 0.43
SIRT2 Q8IXJ6 4/20 0.42
SIRT3 Q9NTG7 4/20 0.42
SIRT1 Q96EB6 3/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.41
CSF1R P07333 1/20 0.40
POLB P06746 2/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39

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
SCHEMBL6846695 0.88 SIRT2 (0.45) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL6846921 0.81 GPR132 (0.51) KMT2AMEN1TOP1NPC1RAB9A
SCHEMBL6846907 0.78 BRAF (0.49) KMT2AMEN1NPC1RAB9ASIRT2
SCHEMBL6845358 0.76 NPC1 (0.47) KMT2AMEN1NPC1RAB9ATP53
SCHEMBL6846538 0.75 ATM (0.48) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL6841240 0.75 MEN1 (0.47) KMT2AMEN1NPC1RAB9AALDH1A1
Hydrochloric Acid SCHEMBL6845436 0.74 ATM (0.47) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL6846715 0.74 MMP9 (0.56) NPC1RAB9ASMN1; SMN2TP53LMNA
SCHEMBL6846730 0.73 MAPT (0.39) KMT2AMEN1TOP1NPC1RAB9A
SCHEMBL6846662 0.73 NPC1 (0.53) KMT2AMEN1NPC1RAB9ASMN1; SMN2

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 KMT2A 3246/4885MEN1 4396/4885TOP1 3356/4885
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA KMT2A 3246/4885MEN1 4396/4885TOP1 3356/4885

“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.