SCHEMBL6841278

SCHEMBL6841278

O=C(Nc1ccc2ncccc2c1)c1cccc(OCc2cccnc2)c1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.59
NPC1 O15118 2/20 0.59
CASP3 P42574 1/20 0.59
SENP8 Q96LD8 1/20 0.59
SENP7 Q9BQF6 1/20 0.59
SENP6 Q9GZR1 1/20 0.59
PABPC1 P11940 1/20 0.58
GPR132 Q9UNW8 13/20 0.57
CMKLR2 P46091 1/20 0.56
CMKLR1 Q99788 1/20 0.56
SIRT2 Q8IXJ6 1/20 0.56
SIRT1 Q96EB6 1/20 0.56
SIRT3 Q9NTG7 1/20 0.56

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
SCHEMBL6841397 0.91 RAB9A (0.65) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL6846878 0.89 NPC1 (0.57) RAB9ANPC1GPR132CMKLR2CMKLR1
SCHEMBL1681165 0.82 NR1H4 (0.62) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL6971304 0.81 BRAF (0.65) RAB9ANPC1PABPC1
SCHEMBL1680575 0.80 PABPC1 (0.72) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL28058986 0.80 NR1H4 (0.71) RAB9ANPC1GPR132CMKLR2CMKLR1
SCHEMBL1681688 0.80 PABPC1 (0.75) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL6845372 0.79 GPR132 (0.50) RAB9AGPR132CMKLR2CMKLR1SIRT2
SCHEMBL1680510 0.78 RAB9A (0.64) RAB9ANPC1PABPC1
SCHEMBL6846707 0.78 GPR132 (0.60) GPR132CMKLR2CMKLR1

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 7 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
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 RAB9A 1183/4885NPC1 4543/4885CASP3 1596/4885
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA RAB9A 1183/4885NPC1 4543/4885CASP3 1596/4885

“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.