SCHEMBL6841397

SCHEMBL6841397

O=C(Nc1ccc2ccccc2c1)c1cccc(OCc2cccnc2)c1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.65
NPC1 O15118 2/20 0.65
MEN1 O00255 1/20 0.65
ALDH1A1 P00352 1/20 0.65
KMT2A Q03164 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
POLB P06746 1/20 0.64
CASP3 P42574 1/20 0.64
SENP8 Q96LD8 1/20 0.64
SENP7 Q9BQF6 1/20 0.64
SENP6 Q9GZR1 1/20 0.64
GPR132 Q9UNW8 13/20 0.61
CMKLR2 P46091 1/20 0.61
CMKLR1 Q99788 1/20 0.61
NR1H4 Q96RI1 1/20 0.59
SIRT2 Q8IXJ6 2/20 0.59
SIRT1 Q96EB6 2/20 0.59
SIRT3 Q9NTG7 2/20 0.59

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
SCHEMBL6841278 0.91 RAB9A (0.59) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL6846878 0.87 NPC1 (0.57) RAB9ANPC1POLBGPR132CMKLR2
SCHEMBL28058986 0.84 NR1H4 (0.71) RAB9ANPC1MEN1ALDH1A1KMT2A
SCHEMBL6845372 0.81 GPR132 (0.50) RAB9AGPR132CMKLR2CMKLR1SIRT2
SCHEMBL6846707 0.81 GPR132 (0.60) ALDH1A1GPR132CMKLR2CMKLR1
SCHEMBL6079194 0.80 SIRT2 (0.72) RAB9ANR1H4SIRT2SIRT1SIRT3
SCHEMBL14880457 0.80 RAB9A (1.00) RAB9ANPC1MEN1ALDH1A1KMT2A
SCHEMBL7449026 0.78 NR1H4 (0.72) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL17544369 0.78 MAPT (0.80) RAB9ANPC1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL30402793 0.78 MAPT (0.80) RAB9ANPC1ALDH1A1KMT2ASMN1; 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 RAB9A 1183/4885NPC1 4543/4885MEN1 4396/4885
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA RAB9A 1183/4885NPC1 4543/4885MEN1 4396/4885

“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.