SCHEMBL6846730

SCHEMBL6846730

CC(C)(C)c1cc(C(=O)Nc2cccc(SCc3cncc4ccccc34)c2)ccc1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.39
MMP9 P14780 2/20 0.39
MMP1 P03956 1/20 0.39
HTT P42858 1/20 0.39
NR1H4 Q96RI1 2/20 0.39
TOP1 P11387 1/20 0.38
FGFR1 P11362 5/20 0.38
KCNK9 Q9NPC2 1/20 0.38
KDR P35968 4/20 0.37
CSF1R P07333 2/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP3A4 P08684 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 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
SCHEMBL7548979 0.84 TRPV1 (0.41) MAPTMMP9MMP1HTTTOP1
SCHEMBL6846695 0.82 SIRT2 (0.45) MAPTTP53NR1H4CSF1RMEN1
SCHEMBL6844711 0.82 NR1H4 (0.53) MAPTHTTNR1H4MEN1KMT2A
SCHEMBL6844807 0.73 KMT2A (0.45) MAPTTP53HTTTOP1CSF1R
SCHEMBL6841338 0.72 SMN1; SMN2 (0.42) MAPTTP53NR1H4TOP1KCNK9
SCHEMBL6841337 0.72 MAPT (0.45) MAPTTP53NR1H4TOP1KCNK9
SCHEMBL6846672 0.70 MEN1 (0.41) MAPTHTTMEN1KMT2ANPC1
SCHEMBL6841468 0.68 LMNA (0.46) MAPTHTTMEN1KMT2ANPC1
SCHEMBL6841295 0.68 ADRB2 (0.47) MAPTMMP9MMP1HTTKCNK9
SCHEMBL6846568 0.67 GPR132 (0.55) NR1H4MEN1KMT2ANPC1RAB9A

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 6 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-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
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

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 MAPT 899/4885TP53 397/4885MMP9 1178/4885
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA MAPT 899/4885TP53 397/4885MMP9 1178/4885

“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.