SCHEMBL10075602

SCHEMBL10075602

N#CC(C#N)=C1c2cc(-c3cccc(C(F)(F)F)c3)ccc2-c2ccc(-c3cccc(C(F)(F)F)c3)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.43
KIF11 P52732 1/20 0.43
PARP10 Q53GL7 1/20 0.42
PARP11 Q9NR21 1/20 0.42
ASIC3 Q9UHC3 1/20 0.42
MAOB P27338 1/20 0.41
CTSK P43235 3/20 0.41
KCNH2 Q12809 1/20 0.41
KDM1A O60341 1/20 0.40
NAAA Q02083 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
XDH P47989 1/20 0.39
S1PR5 Q9H228 1/20 0.39
PGR P06401 1/20 0.39
PDK2 Q15119 1/20 0.39
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38

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
SCHEMBL12118000 0.97 CTSS (0.42) CTSSKIF11PARP10PARP11ASIC3
SCHEMBL12198263 0.97 CTSS (0.42) CTSSKIF11PARP10PARP11ASIC3
SCHEMBL13374652 0.90 AR (0.45) CTSSKIF11PARP10PARP11ASIC3
SCHEMBL12148972 0.90 AR (0.45) CTSSKIF11PARP10PARP11ASIC3
SCHEMBL10074370 0.88 MAPT (0.42) CTSSKIF11CTSKNAAAALDH1A1
SCHEMBL24487603 0.87 ABL1 (0.39) CTSSKIF11PARP10PARP11ASIC3
SCHEMBL14233917 0.87 CTSS (0.35) CTSSKIF11PARP10PARP11ASIC3
SCHEMBL13207220 0.87 CTSS (0.44) CTSSKIF11PARP10PARP11ASIC3
SCHEMBL10074371 0.86 KIF11 (0.47) CTSSKIF11CTSKALDH1A1GAA
SCHEMBL12117729 0.86 KIF11 (0.44) KIF11KCNH2ALDH1A1GAAMAPT

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 CTSS 2103/4885KIF11 2450/4885PARP10 3070/4885

“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.