SCHEMBL18361003

SCHEMBL18361003

CN=c1c2ccccc2n(-c2ccc(C(F)(F)F)cc2N(C)C)c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 3/20 0.42
▸ HSP90AA1 P07900 1/20 0.34
▸ HTR6 P50406 3/20 0.33
▸ PPARG P37231 3/20 0.32
▸ PPARA Q07869 2/20 0.32
▸ MAPT P10636 1/20 0.32
▸ MAPK10 P53779 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ PABPC1 P11940 1/20 0.32
▸ PTGDR2 Q9Y5Y4 1/20 0.31
▸ ACP1 P24666 1/20 0.31
▸ MAT2A P31153 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ ABCB11 O95342 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CHRM2 P08172 1/20 0.31
▸ ABCB1 P08183 1/20 0.31
▸ HTR1A P08908 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
SCHEMBL18360985 0.90 KIF11 (0.51) KIF11HSP90AA1HTR6PPARGPPARA
SCHEMBL20364459 0.84 KIF11 (0.46) KIF11HSP90AA1PPARGPPARAMAPT
SCHEMBL18361178 0.78 KIF11 (0.41) KIF11HSP90AA1PPARGPPARAMAPT
SCHEMBL18360986 0.72 KIF11 (0.57) KIF11HSP90AA1PPARGPPARAMAPT
SCHEMBL18361132 0.70 KIF11 (0.54) KIF11HSP90AA1PPARGPPARAMAPT
SCHEMBL17950026 0.69 KIF11 (0.53) KIF11HSP90AA1PPARGPPARAMAPT
SCHEMBL17950009 0.69 KIF11 (0.53) KIF11HSP90AA1PPARGPPARAMAPT
SCHEMBL28842855 0.68 KIF11 (0.51) KIF11HSP90AA1PPARGPPARAMAPT
SCHEMBL18361167 0.68 KIF11 (0.51) KIF11HSP90AA1PPARGPPARAMAPT
SCHEMBL26496774 0.68 KIF11 (0.54) KIF11HSP90AA1PPARGPPARAMAPT

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-20180198075-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2018-07-12 — — US disclosed
EP-3113239-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES cynora GmbH (DE) 2017-01-04 — — EP 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 4848/4885HTR6 4197/4885

“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.

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