SCHEMBL20565236

SCHEMBL20565236

COc1ccc(COc2nc(Cl)ncc2C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.43
APP P05067 7/20 0.41
CNR1 P21554 2/20 0.41
CNR2 P34972 2/20 0.41
PLA2G7 Q13093 1/20 0.40
PIN1 Q13526 1/20 0.40
MAOB P27338 1/20 0.39
HRH4 Q9H3N8 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PTK2 Q05397 1/20 0.37
NPBWR1 P48145 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL18338730 0.83 PIN1 (0.56) ARCNR1CNR2PIN1
SCHEMBL27162828 0.83 AR (0.44) ARAPPCNR1CNR2PLA2G7
SCHEMBL846643 0.82 POLB (0.47) APPCNR1CNR2PIN1MAOB
SCHEMBL9987222 0.81 CNR1 (0.44) APPCNR1CNR2PIN1MAOB
SCHEMBL3196355 0.80 CNR1 (0.43) APPCNR1CNR2PIN1MAOB
SCHEMBL22323930 0.80 APP (0.50) APPCNR1CNR2PIN1MAOB
SCHEMBL31514820 0.80 CNR1 (0.43) APPCNR1CNR2PIN1MAOB
SCHEMBL9987933 0.78 PIN1 (0.44) APPCNR1CNR2PIN1MAOB
SCHEMBL9987333 0.78 MAOB (0.44) APPCNR1CNR2PIN1MAOB
SCHEMBL2015792 0.78 AURKA (0.48) PIN1ALDH1A1SMN1; SMN2

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-20190135793-A1 HETEROCYCLIC INHIBITORS OF KDM5 FOR THE TREATMENT OF DISEASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2019-05-09 US disclosed
US-20190135793-A1 HETEROCYCLIC INHIBITORS OF KDM5 FOR THE TREATMENT OF DISEASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2019-05-09 US disclosed
WO-2018213777-A1 HETEROCYCLIC INHIBITORS OF KDM5 FOR THE TREATMENT OF DISEASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2018-11-22 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 (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-20190135793-A1 HETEROCYCLIC INHIBITORS OF KDM5 FOR THE TREATMENT OF DISEASE KDM5A, KDM5B, KDM5C AR 1601/4885APP 4504/4885CNR1 2906/4885

“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.