SCHEMBL13974159

SCHEMBL13974159

COc1ccc2c(C(F)(F)F)cc(=O)n(CCN=[N+]=[N-])c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HASPIN Q8TF76 2/20 0.38
DYRK2 Q92630 1/20 0.38
GRM2 Q14416 1/20 0.37
AR P10275 1/20 0.36
DYRK1A Q13627 9/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
EPHX2 P34913 1/20 0.35
CNR2 P34972 2/20 0.35
PGR P06401 2/20 0.35
RORA P35398 1/20 0.35
RORC P51449 1/20 0.35
RORB Q92753 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34

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
SCHEMBL13964881 0.86 KDM4E (0.36) ARKDM4EHSD17B10PGRRORA
SCHEMBL13974158 0.82 HASPIN (0.48) HASPINDYRK2GRM2ARDYRK1A
SCHEMBL6608635 0.76 AR (0.47) GRM2ARDYRK1AALDH1A1KDM4E
SCHEMBL13964880 0.68 KDM4E (0.39) HASPINDYRK2ARKDM4EHSD17B10
SCHEMBL23150315 0.66 DYRK1A (0.72) HASPINDYRK1AHTR2AHTR2C
SCHEMBL2797974 0.65 CCNE2 (0.47) DYRK1AALDH1A1KDM4EMAPK1HTT
SCHEMBL23150395 0.65 HASPIN (0.72) HASPINDYRK1AHTR2AHTR2C
SCHEMBL13964876 0.64 HSD17B3 (0.44) ARALDH1A1KDM4EPGRRORA
SCHEMBL15850875 0.64 ALDH1A1 (0.47) HASPINDYRK1AALDH1A1KDM4EMAPK1
SCHEMBL12002162 0.63 KDM4E (0.56) DYRK1AALDH1A1KDM4EMAPK1HTT

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 4093/4885GRM2 230/4885

“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.