SCHEMBL4176751

SCHEMBL4176751

FC(F)(F)c1ccc(-c2nnc(-c3ccccc3N(CC3=COCO3)Cc3ccccc3)[nH]2)cc1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.34
CXCR2 P25025 1/20 0.33
SCN2A Q99250 2/20 0.33
TNKS O95271 1/20 0.31
WNT3A P56704 1/20 0.31
TNKS2 Q9H2K2 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
MAPK13 O15264 1/20 0.30
RAF1 P04049 1/20 0.30
MAPK12 P53778 1/20 0.30
MAPK11 Q15759 1/20 0.30
MAPK14 Q16539 1/20 0.30

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
SCHEMBL4181162 0.90 CXCR2 (0.36) NR3C1CXCR2SCN2A
SCHEMBL4179120 0.88 SCN2A (0.33) CXCR2SCN2AMAPK13RAF1MAPK12
SCHEMBL4178043 0.84 PTGS2 (0.38) NR3C1
SCHEMBL4185707 0.83 NR3C1 (0.38) NR3C1
SCHEMBL4174950 0.79 CSF1R (0.36) NR3C1
SCHEMBL4173252 0.72 PTGS2 (0.37)
SCHEMBL4174808 0.71 HPGDS (0.31)
SCHEMBL4173820 0.71 AGTR1 (0.31)
SCHEMBL4181577 0.70 NOS1 (0.39) HTR2AHTR2CHTR2B
SCHEMBL4174291 0.68 CSF1R (0.38)

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 3725/4885CXCR2 813/4885SCN2A 4565/4885
US-20090318438-A1 Heterocyclic compounds and their use as anticancer agents TP53, MCL1, VHL NR3C1 3725/4885CXCR2 813/4885SCN2A 4565/4885

“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.