SCHEMBL4185705

SCHEMBL4185705

CN(c1ccc2c(c1)OCO2)c1ccccc1-c1nnc(-c2cccc(OC(F)(F)F)c2)[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.40
PIM1 P11309 2/20 0.40
PIM2 Q9P1W9 2/20 0.40
MAPT P10636 3/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP2C9 P11712 2/20 0.34
KCNH2 Q12809 2/20 0.34
CYP2D6 P10635 1/20 0.34
GPR142 Q7Z601 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL4174946 0.89 MAPT (0.43) MAPTKDM4EMEN1ALDH1A1LMNA
SCHEMBL4181161 0.86 KDR (0.38) DYRK1AMAPTALDH1A1LMNAHPGD
SCHEMBL4176750 0.82 MAP2K4 (0.39) DYRK1APIM1MAPTKDM4EMEN1
SCHEMBL4185704 0.76 USP1 (0.46) DYRK1APIM1PIM2MAPTKDM4E
SCHEMBL4178042 0.76 PTGS2 (0.45) MAPTHTTPTGS1RAB9A
SCHEMBL4174287 0.76 MAPT (0.41) DYRK1AMAPTKDM4EMEN1ALDH1A1
SCHEMBL4173246 0.73 CLK1 (0.39) DYRK1AMAPTALDH1A1LMNAHPGD
SCHEMBL4174803 0.72 KDR (0.37) PIM1MAPTKDM4EMEN1LMNA
SCHEMBL4169643 0.71 KDR (0.42) PIM1PIM2ALDH1A1RAB9A
SCHEMBL4185707 0.71 NR3C1 (0.38) PIM1PIM2PRMT1PIM3

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 2 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

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 DYRK1A 4792/4885PIM1 980/4885PIM2 1647/4885
US-20090318438-A1 Heterocyclic compounds and their use as anticancer agents TP53, MCL1, VHL DYRK1A 4792/4885PIM1 980/4885PIM2 1647/4885

“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.