SCHEMBL2477243

SCHEMBL2477243

Cn1cnnc1-c1ccc(O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 2/20 0.41
NPC1 O15118 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
USP2 O75604 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HSD11B1 P28845 2/20 0.41
OPRD1 P41143 2/20 0.41
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
PTK2 Q05397 1/20 0.38
SENP1 Q9P0U3 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
SCHEMBL14020814 0.83 PTK2 (0.45) ALDH1A1MEN1NPC1KMT2ASMN1; SMN2
SCHEMBL8763523 0.80 HSD11B1 (0.45) ALDH1A1NPC1KMT2ASMN1; SMN2TP53
SCHEMBL62239 0.80 ALDH1A1 (0.42) ALDH1A1NPC1SMN1; SMN2TP53PKM
SCHEMBL23291112 0.80 ALDH1A1 (0.44) ALDH1A1MEN1NPC1KMT2ASMN1; SMN2
SCHEMBL24469820 0.79 CA2 (0.42) ALDH1A1SMN1; SMN2L3MBTL1PTK2LMNA
SCHEMBL3658697 0.79 L3MBTL1 (0.59) ALDH1A1NPC1KMT2ASMN1; SMN2RAB9A
SCHEMBL19219072 0.78 L3MBTL1 (0.46) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL2451213 0.78 L3MBTL1 (0.49) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL22143988 0.77 PTK2 (0.42) ALDH1A1SMN1; SMN2MAPTL3MBTL1PTK2
SCHEMBL12297066 0.77 TP53 (0.40) ALDH1A1NPC1KMT2ASMN1; SMN2TP53

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2373163-B1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2015-06-10 EP disclosed
US-8232273-B2 Heterocyclic compounds and methods of use GENENTECH, INC. (US) 2012-07-31 US disclosed
EP-2373163-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2011-10-12 EP disclosed
US-20100210622-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE ABBVIE INC. 2010-08-19 US disclosed
WO-2010080503-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2010-07-15 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 (1 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-20100210622-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE BCL2A1, BAX, BCL2 ALDH1A1 3017/4885MEN1 833/4885NPC1 3846/4885

“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.