SCHEMBL4174946

SCHEMBL4174946

COc1cccc(-c2nnc(-c3ccccc3N(C)c3ccc4c(c3)OCO4)[nH]2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
TP53 P04637 2/20 0.41
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40

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
SCHEMBL4185705 0.89 DYRK1A (0.40) MAPTKMT2AMEN1ALDH1A1HPGD
SCHEMBL4174287 0.86 MAPT (0.41) MAPTKMT2AMEN1ALDH1A1HPGD
SCHEMBL4181161 0.84 KDR (0.38) MAPTKMT2AALDH1A1HPGDLMNA
SCHEMBL4176750 0.80 MAP2K4 (0.39) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL4178042 0.79 PTGS2 (0.45) MAPTHTTRAB9APTGS2L3MBTL1
SCHEMBL4174943 0.76 CLK4 (0.53) MAPTKMT2AMEN1ALDH1A1HPGD
SCHEMBL4181575 0.73 KIT (0.42) MAPTKMT2AMEN1ALDH1A1HPGD
SCHEMBL4168443 0.73 CLK4 (0.44) MAPTKMT2AMEN1ALDH1A1HPGD
SCHEMBL4174803 0.72 KDR (0.37) MAPTKMT2AMEN1KDM4ELMNA
SCHEMBL4174282 0.72 CLK4 (0.57) MAPTKMT2AMEN1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090318438-A1 Heterocyclic compounds and their use as anticancer agents CHEN XIAOLING 2009-12-24 US disclosed
US-20090048301-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS ANTICANCER AGENTS IMCLONE SYSTEMS INCORPORATED (US) 2009-02-19 US disclosed
WO-2005004818-A2 HETEROCYCLIC COMPOUNDS AND THEIR USE AS ANTICANCER AGENTS IMCLONE SYSTEMS INCORPORATED (US) 2005-01-20 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-20090048301-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS ANTICANCER AGENTS TP53, MCL1, VHL MAPT 3261/4885KMT2A 2240/4885MEN1 543/4885
US-20090318438-A1 Heterocyclic compounds and their use as anticancer agents TP53, MCL1, VHL MAPT 3261/4885KMT2A 2240/4885MEN1 543/4885

“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.