SCHEMBL6841216

SCHEMBL6841216

COc1ccc(C=Cc2cc(CCc3cccc(C(=O)Nc4ccc(C(C)C)c(C)c4)c3)[nH]n2)cc1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 6/20 0.42
ROCK2 O75116 5/20 0.40
MCHR1 Q99705 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.39
PRKG1 Q13976 1/20 0.38
CYP3A4 P08684 3/20 0.38
ALDH1A1 P00352 1/20 0.38
USP2 O75604 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
MAPK14 Q16539 1/20 0.37
MMP9 P14780 1/20 0.37
NPC1 O15118 1/20 0.37
NQO2 P16083 1/20 0.37
CASP3 P42574 1/20 0.37
RAB9A P51151 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
CYP2C19 P33261 1/20 0.37
CYP1A2 P05177 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL6841215 1.00 PARP1 (0.42) PARP1ROCK2MCHR1ABCG2PRKG1
SCHEMBL6844751 0.82 MMP9 (0.46) PARP1ALDH1A1MMP9NPC1RAB9A
SCHEMBL6844746 0.82 MMP9 (0.46) PARP1ALDH1A1MMP9NPC1RAB9A
SCHEMBL6841347 0.76 KCNK3 (0.42) PARP1ALDH1A1NPC1RAB9APOLB
SCHEMBL6846845 0.76 HPGD (0.44) PARP1ROCK2ALDH1A1HTTCASP3
SCHEMBL6846529 0.72 NAMPT (0.41) PARP1CYP3A4ALDH1A1HTTRAB9A
SCHEMBL6841257 0.70 RAB9A (0.55) ALDH1A1HTTNPC1RAB9APOLB
SCHEMBL6841416 0.70 RAB9A (0.44) ROCK2MCHR1CYP3A4ALDH1A1USP2
SCHEMBL6844710 0.70 RAB9A (0.41) MCHR1ABCG2NPC1NQO2CASP3
SCHEMBL6846397 0.68 MMP9 (0.44) ALDH1A1MMP9NPC1RAB9APOLB

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 PARP1 2139/4885ROCK2 41/4885MCHR1 4147/4885
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA PARP1 2139/4885ROCK2 41/4885MCHR1 4147/4885

“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.