SCHEMBL20364459

SCHEMBL20364459

CN=c1c2ccccc2n(-c2ccc(C(F)(F)F)cc2C)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 3/20 0.46
▸ HSP90AA1 P07900 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.35
▸ PKM P14618 1/20 0.35
▸ MAPT P10636 2/20 0.34
▸ MAPK10 P53779 1/20 0.34
▸ PPARG P37231 4/20 0.34
▸ PPARA Q07869 2/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ MAT2A P31153 1/20 0.33
▸ PDE2A O00408 1/20 0.32
▸ PHGDH O43175 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL18360986 0.88 KIF11 (0.57) KIF11HSP90AA1ALDH1A1PKMMAPT
SCHEMBL18361003 0.84 KIF11 (0.42) KIF11HSP90AA1ALDH1A1PKMMAPT
SCHEMBL18361014 0.76 KIF11 (0.50) KIF11HSP90AA1ALDH1A1PKMMAPT
SCHEMBL20364454 0.75 KIF11 (0.46) KIF11ALDH1A1PKMMAPTMAT2A
SCHEMBL18361113 0.75 KIF11 (0.46) KIF11HSP90AA1ALDH1A1PKMMAPT
SCHEMBL18361132 0.74 KIF11 (0.54) KIF11HSP90AA1ALDH1A1PKMMAPT
SCHEMBL29466836 0.74 KIF11 (0.45) KIF11ALDH1A1PPARGPPARAKMT2A
SCHEMBL26496751 0.73 KIF11 (0.50) KIF11HSP90AA1ALDH1A1PKMMAPT
SCHEMBL17950009 0.73 KIF11 (0.53) KIF11HSP90AA1ALDH1A1PKMMAPT
SCHEMBL17950026 0.73 KIF11 (0.53) KIF11HSP90AA1ALDH1A1PKMMAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180198075-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2018-07-12 — — 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 (1 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-20180198075-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES C1R, ORC3, OR10J3 KIF11 4043/4885HSP90AA1 4848/4885ALDH1A1 1692/4885

“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.

Send feedback