SCHEMBL13974158

SCHEMBL13974158

COc1ccc2c(C(F)(F)F)cc(=O)n(CCN)c2c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HASPIN Q8TF76 6/20 0.48
DYRK2 Q92630 1/20 0.48
DYRK1A Q13627 8/20 0.45
GRM2 Q14416 1/20 0.40
AR P10275 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MPO P05164 1/20 0.39
EPHX2 P34913 1/20 0.39
ADRB2 P07550 1/20 0.39

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
SCHEMBL13964880 0.83 KDM4E (0.39) HASPINDYRK2ARKDM4EHSD17B10
SCHEMBL13974159 0.82 HASPIN (0.38) HASPINDYRK2DYRK1AGRM2AR
SCHEMBL6608635 0.81 AR (0.47) DYRK1AGRM2ARKDM4EALDH1A1
SCHEMBL13964865 0.80 HSD17B3 (0.43) HASPINDYRK2ARALDH1A1
SCHEMBL8757577 0.79 HASPIN (0.62) HASPINDYRK2DYRK1AKDM4EALDH1A1
Hydrochloric Acid SCHEMBL8756541 0.71 HASPIN (0.54) HASPINDYRK2DYRK1AKDM4EALDH1A1
SCHEMBL2797974 0.69 CCNE2 (0.47) DYRK1AKDM4EALDH1A1MAPK1HTT
Hydrochloric Acid SCHEMBL8757541 0.69 HASPIN (0.69) HASPINDYRK2DYRK1A
SCHEMBL9157714 0.68 KMO (0.70) ALDH1A1
SCHEMBL891123 0.68 CBX7 (0.47) KDM4EMPO

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-20120294808-A1 Fluorescent Analogs of Neurotransmitters, Compositions Containing the Same and Methods of Using the Same UNIVERSITY OF MIAMI (US) 2012-11-22 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-20120294808-A1 Fluorescent Analogs of Neurotransmitters, Compositions Containing the Same and Methods of Using the Same HRH3, CHRNA4, HRH4 HASPIN 2672/4885DYRK2 4093/4885DYRK1A 4210/4885

“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.