SCHEMBL4185707

SCHEMBL4185707

FC(F)(F)Oc1cccc(-c2nnc(-c3ccccc3N(CC3=COCO3)Cc3ccccc3)[nH]2)c1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.38
CETP P11597 5/20 0.36
PIM2 Q9P1W9 5/20 0.33
PIM1 P11309 4/20 0.33
ROCK2 O75116 1/20 0.32
ROCK1 Q13464 1/20 0.32
PIM3 Q86V86 2/20 0.32
PRMT1 Q99873 1/20 0.32

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
SCHEMBL4174950 0.89 CSF1R (0.36) NR3C1
SCHEMBL4181162 0.87 CXCR2 (0.36) NR3C1CETPPRMT1
SCHEMBL4176751 0.83 NR3C1 (0.34) NR3C1
SCHEMBL4174291 0.78 CSF1R (0.38)
SCHEMBL4178043 0.76 PTGS2 (0.38) NR3C1
SCHEMBL4174808 0.75 HPGDS (0.31) PIM1ROCK2
SCHEMBL4179120 0.71 SCN2A (0.33)
SCHEMBL1947298 0.71 F2RL3 (0.37)
SCHEMBL4185705 0.71 DYRK1A (0.40) PIM2PIM1PIM3PRMT1
SCHEMBL4181577 0.69 NOS1 (0.39)

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 NR3C1 3725/4885CETP 3601/4885PIM2 1647/4885
US-20090318438-A1 Heterocyclic compounds and their use as anticancer agents TP53, MCL1, VHL NR3C1 3725/4885CETP 3601/4885PIM2 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.