SCHEMBL17469275

SCHEMBL17469275

COc1cc(Cl)c2[nH]c(C(F)(F)F)c(C(=O)C(F)(F)F)c2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.36
DYRK1A Q13627 5/20 0.35
CDK9 P50750 3/20 0.35
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
TAS1R2 Q8TE23 1/20 0.34
DYRK2 Q92630 2/20 0.33
DYRK1B Q9Y463 2/20 0.33
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32
TUBB4B P68371 1/20 0.32
TUBB3 Q13509 1/20 0.32
TUBB2A Q13885 1/20 0.32
TUBB8 Q3ZCM7 1/20 0.32
TUBA3E Q6PEY2 1/20 0.32

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
SCHEMBL17469285 0.86 CFTR (0.41) BCHEDYRK1ADYRK2DYRK1BTUBB4A
SCHEMBL17469279 0.86 ENPP3 (0.38) BCHEDYRK1ACDK9DYRK2DYRK1B
SCHEMBL17469274 0.86 CYP3A4 (0.38) BCHEDYRK1AHDAC6NQO2PDE3B
SCHEMBL17469282 0.86 NQO2 (0.45) BCHETUBB4ATUBBTUBA3CTUBA1B
SCHEMBL17469281 0.85 BCHE (0.36) BCHEDYRK1ATUBB4ATUBBTUBA3C
SCHEMBL19317472 0.83 HRH4 (0.32) PTGS1PTGS2
SCHEMBL19322129 0.82 GAA (0.40) BCHETUBB4ATUBBTUBA3CTUBA1B
SCHEMBL17469286 0.81 BCHE (0.36) BCHEDYRK1ATRPV1NQO2PDE3B
SCHEMBL17469276 0.80 MTNR1A (0.43) BCHETUBB4ATUBBTUBA3CTUBA1B
SCHEMBL19322108 0.76 ALDH1A1 (0.49) BCHETUBB4ATUBBTUBA3CTUBA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11147795-B2 Neuroprotective compounds and methods of use ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2021-10-19 US disclosed
US-20190350902-A1 NEUROPROTECTIVE COMPOUNDS AND METHODS OF USE ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2019-11-21 US disclosed
US-10358438-B2 [3+2] annulation to produce 5-membered heterocyclic compounds ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2019-07-23 US disclosed
US-20170253580-A1 ORGANIC REACTIONS THE ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2017-09-07 US disclosed
WO-2016014426-A1 ORGANIC REACTIONS THE ARIZONA BOARD OF REGENTS (US) 2016-01-28 WO 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 (4 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-11147795-B2 Neuroprotective compounds and methods of use RTN3, CHRNB3, ARRB1 BCHE 1054/4885DYRK1A 1642/4885CDK9 3308/4885
US-20170253580-A1 ORGANIC REACTIONS MYC, CYP2E1, CYP3A4 BCHE 1609/4885DYRK1A 3353/4885CDK9 268/4885
US-20190350902-A1 NEUROPROTECTIVE COMPOUNDS AND METHODS OF USE RTN3, CHRNB3, ARRB1 BCHE 1054/4885DYRK1A 1642/4885CDK9 3308/4885
US-10358438-B2 [3+2] annulation to produce 5-membered heterocyclic compounds ACR, MYC, TOP1 BCHE 2514/4885DYRK1A 4019/4885CDK9 137/4885

“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.