SCHEMBL16996752

SCHEMBL16996752

Oc1nc2ncnn2cc1-c1c(F)cc(F)cc1F

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL1352687 0.74 KDM4E (0.34) MAPK1KDM4EALDH1A1GAACYP2C19
SCHEMBL1352730 0.73 KDM4E (0.34) MAPK1KDM4EALDH1A1GAACYP2C19
SCHEMBL120876 0.72 TP53 (0.36) MAPK1KDM4EALDH1A1GAACYP2C19
SCHEMBL3277090 0.72 MAPK1 (0.39) MAPK1KDM4EALDH1A1GAA
SCHEMBL1978101 0.71 MAPK1 (0.36) MAPK1KDM4EALDH1A1
SCHEMBL164144 0.70 KDM4E (0.50) MAPK1KDM4EALDH1A1
SCHEMBL3426730 0.68 MAPK1 (0.36) MAPK1KDM4EALDH1A1
SCHEMBL5445684 0.64 MAPK1 (0.45) MAPK1KDM4EALDH1A1GAA
SCHEMBL4480515 0.64 PDE2A (0.39)
SCHEMBL4157774 0.63 ALDH1A1 (0.51) MAPK1KDM4EALDH1A1GAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170173016-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF NEURODEGENERATIVE TAUOPATHIES NIH - DEITR 2017-06-22 US disclosed
US-9649317-B2 Heterocyclic compounds and their use for the treatment of neurodegenerative tauopathies THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2017-05-16 US disclosed
US-20150224105-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF NEURODEGENERATIVE TAUOPATHIES NIH - DEITR 2015-08-13 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 (2 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-20170173016-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF NEURODEGENERATIVE TAUOPATHIES MAPT, PRNP, PSEN2 MAPK1 2747/4885KDM4E 2439/4885ALDH1A1 2537/4885
US-20150224105-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF NEURODEGENERATIVE TAUOPATHIES MAPT, SYNJ1, PARK7 MAPK1 3232/4885KDM4E 3159/4885ALDH1A1 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.