SCHEMBL4163392

SCHEMBL4163392

Nc1ccccc1-c1nnc(Nc2ccc3c(c2)OCCO3)[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
FYN P06241 1/20 0.46
HIF1A Q16665 2/20 0.44
DHODH Q02127 1/20 0.44
KDM1A O60341 1/20 0.43
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
RHOA P61586 1/20 0.42
PKM P14618 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
KDR P35968 4/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL4178050 0.81 KMT2A (0.51) KMT2AMEN1FYNHIF1ADHODH
SCHEMBL4185165 0.77 KDR (0.70) KMT2AMEN1KDRALDH1A1GAA
SCHEMBL4188216 0.76 FYN (0.48) KMT2AMEN1FYNADRA2ANPC1
SCHEMBL4180581 0.75 TUBB4A (0.66) KMT2AMEN1KDRTUBB4ATUBB
SCHEMBL4187730 0.75 KDM4E (0.65) NPC1RAB9AKDRGAAMAPT
SCHEMBL4181586 0.74 TUBB4A (0.55) KMT2AMEN1FYNHIF1ANPC1
SCHEMBL4170576 0.74 FYN (0.44) KMT2AMEN1FYNPKML3MBTL1
SCHEMBL4170631 0.73 TUBB4A (0.70) KMT2AMEN1HIF1APKMNPC1
SCHEMBL4181581 0.73 MEN1 (0.43) KMT2AMEN1PKMALDH1A1LMNA
SCHEMBL4174893 0.73 TUBB4A (0.50) KMT2AMEN1FYNKDRTUBB4A

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-20090318438-A1 Heterocyclic compounds and their use as anticancer agents CHEN XIAOLING 2009-12-24 US disclosed
US-20090318438-A1 Heterocyclic compounds and their use as anticancer agents CHEN XIAOLING 2009-12-24 US disclosed
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
US-20090048301-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS ANTICANCER AGENTS IMCLONE SYSTEMS INCORPORATED (US) 2009-02-19 US disclosed
US-20090048301-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS ANTICANCER AGENTS IMCLONE SYSTEMS INCORPORATED (US) 2009-02-19 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-20090048301-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS ANTICANCER AGENTS TP53, MCL1, VHL KMT2A 2240/4885MEN1 543/4885FYN 2776/4885
US-20090318438-A1 Heterocyclic compounds and their use as anticancer agents TP53, MCL1, VHL KMT2A 2240/4885MEN1 543/4885FYN 2776/4885

“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.