SCHEMBL6846602

SCHEMBL6846602

O=C(NCCc1ccccc1)c1cccc(C(S)c2ncnc3[nH]ncc23)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
RAB9A P51151 6/20 0.45
NPC1 O15118 5/20 0.45
KDM5B Q9UGL1 2/20 0.44
KDM4E B2RXH2 1/20 0.44
KDM5A P29375 1/20 0.44
KDM5C P41229 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL6846866 0.83 ROCK2 (0.43) MAPK3MAPK1LMNAPARP1ROCK2
SCHEMBL6846446 0.82 PAK1 (0.35) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL6844805 0.80 HPGD (0.50) HDAC1NPC1KDM4EALDH1A1HPGD
SCHEMBL6846603 0.77 SLC29A1 (0.47) SLC29A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL6841314 0.76 MEN1 (0.44) HDAC1RAB9ANPC1MEN1KMT2A
SCHEMBL6846476 0.74 MAOB (0.49) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL6841265 0.73 FLT3 (0.45) RAB9ANPC1KDM4EALDH1A1ROCK2
SCHEMBL6846523 0.73 NPC1 (0.52) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL6841448 0.73 RET (0.43) MAPK1LMNAHTT
SCHEMBL6848426 0.70 FLT3 (0.51) HDAC3HDAC8HDAC6RAB9ANPC1

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 SLC29A1 4443/4885HDAC3 1484/4885HDAC4 1127/4885
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA SLC29A1 4443/4885HDAC3 1484/4885HDAC4 1127/4885

“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.