SCHEMBL22178496

SCHEMBL22178496

FC(F)(F)c1ccc2c(c1)c1c3c4ccccc4n4c5ccc(C(F)(F)F)cc5c(c5c6ccccc6n2c51)c34

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.49
G6PD P11413 1/20 0.36
TLR9 Q9NR96 1/20 0.36
HSP90AA1 P07900 1/20 0.36
MAPT P10636 2/20 0.36
MAPK10 P53779 1/20 0.36
HRH1 P35367 1/20 0.36
HTR6 P50406 1/20 0.36
MPI P34949 2/20 0.35
PHOSPHO1 Q8TCT1 2/20 0.35
PMM2 O15305 1/20 0.35
PKM P14618 2/20 0.35
PGR P06401 1/20 0.35
NR1H3 Q13133 1/20 0.35
SRC P12931 1/20 0.34
EPHX2 P34913 1/20 0.34
EGFR P00533 1/20 0.34
ALDH1A1 P00352 1/20 0.33
GPR3 P46089 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL24601532 0.91 KIF11 (0.40) KIF11G6PDTLR9HSP90AA1MAPT
SCHEMBL24601746 0.90 KIF11 (0.57) KIF11G6PDTLR9HSP90AA1MAPT
SCHEMBL24601628 0.88 KIF11 (0.42) KIF11HSP90AA1MAPTPKM
SCHEMBL22178625 0.83 KIF11 (0.44) KIF11MAPTMPIPHOSPHO1PMM2
SCHEMBL24601399 0.80 ESR1 (0.40) KIF11MAPTPGRALDH1A1
SCHEMBL24601631 0.78 KIF11 (0.44) KIF11L3MBTL1
SCHEMBL21570098 0.78 KDM4E (0.43) MAPTALDH1A1GPR3L3MBTL1
SCHEMBL24601619 0.78 KIF11 (0.45) KIF11MAPTEPHX2ALDH1A1GPR3
SCHEMBL24601747 0.77 ATM (0.40) MAPTALDH1A1L3MBTL1
SCHEMBL24601634 0.76 KIF11 (0.33) KIF11ALDH1A1

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-20220213113-A1 NITROGEN-CONTAINING CONDENSED CYCLIC COMPOUNDS, FLUORESCENCE EMITTERS, ORGANIC ELECTROLUMINESCENT DEVICES, AND MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES SAMSUNG ELECTRONICS CO., LTD. (KR) 2022-07-07 US disclosed
US-20200212315-A1 ORGANIC ELECTROLUMINESCENT ELEMENT, ELECTRONIC DEVICE, AND COMPOUND IDEMITSU KOSAN CO.,LTD. (JP) 2020-07-02 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-20200212315-A1 ORGANIC ELECTROLUMINESCENT ELEMENT, ELECTRONIC DEVICE, AND COMPOUND OR10J3, ESR1, NFE2L2 KIF11 2140/4885G6PD 3395/4885TLR9 2331/4885
US-20220213113-A1 NITROGEN-CONTAINING CONDENSED CYCLIC COMPOUNDS, FLUORESCENCE EMITTERS, ORGANIC ELECTROLUMINESCENT DEVICES, AND MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES NCL, NOC2L, NOLC1 KIF11 3347/4885G6PD 3205/4885TLR9 1553/4885

“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.