SCHEMBL6848426

SCHEMBL6848426

CC(C)(C)c1ccc(C(=O)Nc2cccc(C(S)c3ncnc4[nH]ncc34)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 3/20 0.51
DHPS P49366 1/20 0.48
KCNK9 Q9NPC2 1/20 0.47
SYK P43405 1/20 0.45
BTK Q06187 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.44
SIRT1 Q96EB6 1/20 0.44
SIRT3 Q9NTG7 1/20 0.44
KCNK3 O14649 1/20 0.43
RAB9A P51151 4/20 0.43
NPC1 O15118 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HDAC3 O15379 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
ALPL P05186 1/20 0.43
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 2/20 0.42

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
SCHEMBL6841265 0.79 FLT3 (0.45) FLT3KCNK9BTKKCNK3RAB9A
SCHEMBL6846476 0.78 MAOB (0.49) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL6846523 0.77 NPC1 (0.52) RAB9ANPC1SMN1; SMN2MEN1ALDH1A1
SCHEMBL6848430 0.75 SIRT2 (0.51) FLT3DHPSKCNK9SYKBTK
SCHEMBL6846426 0.75 CYP1A2 (0.47) RAB9ANPC1SMN1; SMN2MEN1ALDH1A1
SCHEMBL6841314 0.75 MEN1 (0.44) FLT3SIRT2RAB9ANPC1MEN1
SCHEMBL6841448 0.73 RET (0.43) FLT3MAPK1HTTLMNA
SCHEMBL22628680 0.71 KCNK9 (0.69) KCNK9CA1CA2KCNK3RAB9A
SCHEMBL6846866 0.70 ROCK2 (0.43) MAPK1LMNA
SCHEMBL6845344 0.69 ALDH1A1 (0.49) FLT3DHPSKCNK9SYKBTK

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 FLT3 328/4885DHPS 2922/4885KCNK9 3822/4885
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA FLT3 328/4885DHPS 2922/4885KCNK9 3822/4885

“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.