SCHEMBL10074371

SCHEMBL10074371

N#CC(C#N)=C1c2cc(-c3ccc(C(F)(F)F)cc3)ccc2-c2ccc(-c3ccc(C(F)(F)F)cc3)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 10/20 0.47
MAPT P10636 2/20 0.43
PKM P14618 2/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
TDP2 O95551 1/20 0.42
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
PSEN1 P49768 2/20 0.37
PSEN2 P49810 2/20 0.37
APH1B Q8WW43 2/20 0.37
NCSTN Q92542 2/20 0.37
APH1A Q96BI3 2/20 0.37
PSENEN Q9NZ42 2/20 0.37
PDK2 Q15119 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
AR P10275 1/20 0.36
APP P05067 1/20 0.36
CTSS P25774 1/20 0.36

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
SCHEMBL13374656 0.97 KIF11 (0.45) KIF11MAPTPKMALDH1A1GAA
SCHEMBL12149405 0.97 KIF11 (0.45) KIF11MAPTPKMALDH1A1GAA
SCHEMBL15779899 0.92 KIF11 (0.44) KIF11MAPTPKMALDH1A1GAA
SCHEMBL15095643 0.92 KIF11 (0.41) KIF11MAPTPKMALDH1A1GAA
SCHEMBL20930810 0.91 KIF11 (0.49) KIF11MAPTPKMALDH1A1GAA
SCHEMBL12148949 0.90 AR (0.43) KIF11MAPTPKMALDH1A1GAA
SCHEMBL12117578 0.90 AR (0.43) KIF11MAPTPKMALDH1A1GAA
SCHEMBL15095642 0.90 KIF11 (0.40) KIF11MAPTPKMALDH1A1GAA
SCHEMBL10074370 0.89 MAPT (0.42) KIF11MAPTPKMALDH1A1GAA
SCHEMBL12198264 0.88 KIF11 (0.38) KIF11MAPTPKMALDH1A1GAA

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-8119828-B2 Material for an organic electroluminescence device and an organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2012-02-21 US disclosed
US-20100044686-A1 MATERIAL FOR AN ORGANIC ELECTROLUMINESCENCE DEVICE AND AN ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2010-02-25 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-20100044686-A1 MATERIAL FOR AN ORGANIC ELECTROLUMINESCENCE DEVICE AND AN ORGANIC ELECTROLUMINESCENCE DEVICE AFF4, KCNH3, HCN4 KIF11 2450/4885MAPT 4038/4885PKM 1723/4885

“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.