SCHEMBL6846409

SCHEMBL6846409

Cc1c(Br)cc(NC(=O)c2cccc(C(S)c3cnccn3)c2)cc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.43
NPC1 O15118 6/20 0.43
BRAF P15056 2/20 0.43
TDP1 Q9NUW8 1/20 0.42
NT5E P21589 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
THRB P10828 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
ACP1 P24666 1/20 0.39
PTPN12 Q05209 1/20 0.39
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
TP53 P04637 1/20 0.38
KCNK3 O14649 1/20 0.38
KCNK9 Q9NPC2 1/20 0.38

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
SCHEMBL6841301 0.83 BRAF (0.57) RAB9ANPC1BRAFSMN1; SMN2HTT
SCHEMBL6845327 0.82 SMN1; SMN2 (0.48) RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6844678 0.81 BRAF (0.52) RAB9ANPC1BRAFSMN1; SMN2ALDH1A1
SCHEMBL6841261 0.80 RAB9A (0.57) RAB9ANPC1BRAFSMN1; SMN2ALDH1A1
SCHEMBL6846412 0.73 CXCR2 (0.46) RAB9ANPC1TDP1NT5ESMN1; SMN2
SCHEMBL12017613 0.66 BRAF (0.79) RAB9ANPC1BRAFSMN1; SMN2MAPK1
SCHEMBL12057348 0.64 NT5E (0.67) RAB9ANPC1BRAFNT5ESMN1; SMN2
SCHEMBL25701331 0.63 KCNK3 (0.60) RAB9ANPC1NT5ESMN1; SMN2ALDH1A1
SCHEMBL21237381 0.63 BRAF (0.61) RAB9ANPC1BRAFNT5ESMN1; SMN2
SCHEMBL2407405 0.62 HTT (0.55) RAB9ASMN1; SMN2HPGDMAPK1ALDH1A1

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 RAB9A 1183/4885NPC1 4543/4885BRAF 1/4885
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA RAB9A 1183/4885NPC1 4543/4885BRAF 1/4885

“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.