SCHEMBL6846446

SCHEMBL6846446

O=C(NCC1Oc2ccccc2O1)c1cccc(C(S)c2ncnc3[nH]ncc23)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAK1 Q13153 1/20 0.35
NPC1 O15118 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
FLT3 P36888 4/20 0.33
CCNE2 O96020 2/20 0.33
CCNE1 P24864 2/20 0.33
CDK2 P24941 2/20 0.33
CCNB2 O95067 1/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
CCNB3 Q8WWL7 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
MAPK1 P28482 1/20 0.32
RPS6KB1 P23443 2/20 0.32
TAOK1 Q7L7X3 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL6846602 0.82 SLC29A1 (0.46) NPC1HPGDRAB9ASMN1; SMN2ALDH1A1
SCHEMBL6846866 0.80 ROCK2 (0.43) MAPK1ROCK2ROCK1
SCHEMBL6844805 0.78 HPGD (0.50) NPC1HPGDALDH1A1MAPTROCK2
SCHEMBL7229294 0.77 ALDH1A1 (0.43) PAK1RAB9ASMN1; SMN2CCNE2CCNE1
SCHEMBL6846426 0.76 CYP1A2 (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL6841314 0.75 MEN1 (0.44) NPC1RAB9AFLT3MAPTMEN1
SCHEMBL6846476 0.73 MAOB (0.49) NPC1HPGDRAB9ASMN1; SMN2MEN1
SCHEMBL6841265 0.72 FLT3 (0.45) NPC1RAB9AFLT3ALDH1A1MAPT
SCHEMBL6846523 0.72 NPC1 (0.52) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL6841448 0.71 RET (0.43) FLT3CDK2MAPK1RPS6KB1TTBK1

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 6 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-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 PAK1 297/4885NPC1 4543/4885HPGD 1760/4885
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA PAK1 297/4885NPC1 4543/4885HPGD 1760/4885

“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.