SCHEMBL4176750

SCHEMBL4176750

CN(c1ccc2c(c1)OCO2)c1ccccc1-c1nnc(-c2ccc(C(F)(F)F)cc2)[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 1/20 0.39
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PTAFR P25105 1/20 0.35
CLK4 Q9HAZ1 2/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
ALOX15 P16050 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KCNH2 Q12809 1/20 0.34
KDR P35968 2/20 0.34
RAB9A P51151 3/20 0.34
MAPT P10636 2/20 0.34
NPC1 O15118 2/20 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
SCHEMBL4181161 0.90 KDR (0.38) MAP2K4ALDH1A1KMT2APTAFRCLK4
SCHEMBL4179118 0.86 MAP2K4 (0.37) MAP2K4ALDH1A1MEN1KMT2ACLK4
SCHEMBL4178042 0.83 PTGS2 (0.45) ALOX15RAB9AMAPTHTTL3MBTL1
SCHEMBL4185705 0.82 DYRK1A (0.40) ALDH1A1MEN1KMT2ALMNACYP1A2
SCHEMBL4174946 0.80 MAPT (0.43) ALDH1A1MEN1KMT2ACLK4LMNA
SCHEMBL4173246 0.77 CLK1 (0.39) MAP2K4ALDH1A1KMT2ACLK4LMNA
SCHEMBL4176749 0.74 USP1 (0.49) MAP2K4ALDH1A1MEN1KMT2ACLK4
SCHEMBL4179115 0.70 KDR (0.55) ALDH1A1CLK4USP2LMNACYP1A2
SCHEMBL4173249 0.70 PTGS2 (0.42) KMT2AHSD17B10KDREGFRPDGFRB
SCHEMBL4174803 0.69 KDR (0.37) MEN1KMT2ACLK4USP2LMNA

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 MAP2K4 4492/4885ALDH1A1 535/4885MEN1 543/4885
US-20090318438-A1 Heterocyclic compounds and their use as anticancer agents TP53, MCL1, VHL MAP2K4 4492/4885ALDH1A1 535/4885MEN1 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.