SCHEMBL6846412

SCHEMBL6846412

Cc1c(Br)cc(NC(=O)c2cccc(CSc3cnccn3)c2)cc1Br

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 3/20 0.46
NPC1 O15118 6/20 0.44
RAB9A P51151 6/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 4/20 0.42
MAPT P10636 3/20 0.42
HPGD P15428 2/20 0.42
ALDH1A1 P00352 2/20 0.42
TDP1 Q9NUW8 1/20 0.41
MAPK1 P28482 2/20 0.41
CXCR1 P25024 1/20 0.41
NT5E P21589 1/20 0.40
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
GAA P10253 1/20 0.39
POLB P06746 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
SCHEMBL6845328 0.82 LMNA (0.50) CXCR2RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL6841302 0.81 BRAF (0.51) CXCR2NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL6844680 0.81 CXCR2 (0.46) CXCR2NPC1RAB9AMEN1KMT2A
SCHEMBL6841262 0.80 NPC1 (0.56) CXCR2NPC1RAB9AMEN1KMT2A
SCHEMBL6846409 0.73 RAB9A (0.43) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL12977867 0.69 ALDH1A1 (0.60) NPC1MAPTALDH1A1MAPK1TSHR
SCHEMBL6841307 0.69 MMP9 (0.44) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL15575203 0.67 NPC1 (0.69) CXCR2NPC1RAB9AMEN1KMT2A
SCHEMBL2123171 0.65 HSD17B10 (0.53) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL22562685 0.65 CXCR2 (0.83) CXCR2CXCR1

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 8 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
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 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 CXCR2 1171/4885NPC1 4543/4885RAB9A 1183/4885
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA CXCR2 1171/4885NPC1 4543/4885RAB9A 1183/4885

“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.