SCHEMBL20957952

SCHEMBL20957952

CC(C)c1c(O)nc(-n2ccnc2)nc1OCC1CCOCC1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CD38 P28907 6/20 0.37
IRAK4 Q9NWZ3 2/20 0.37
CNR2 P34972 4/20 0.35
CNR1 P21554 3/20 0.35
GRM4 Q14833 7/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2B6 P20813 1/20 0.33
CYP2C19 P33261 1/20 0.33
LRRK2 Q5S007 1/20 0.33

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
SCHEMBL20958064 0.90 CD38 (0.38) CD38CYP2D6CYP2B6CYP2C19
SCHEMBL20958020 0.82 IRAK4 (0.41) CD38IRAK4CNR2
SCHEMBL20957947 0.81 CYP1A2 (0.51) CD38GRM4CYP2D6CYP2C19
SCHEMBL20957978 0.80 CHEK1 (0.35) CD38IRAK4GRM4CYP2D6CYP2B6
SCHEMBL20958012 0.79 FKBP1A (0.44) CD38
SCHEMBL20564192 0.78 CD38 (0.38) CD38CYP2D6CYP2B6CYP2C19
SCHEMBL20564474 0.78 CD38 (0.35) CD38
SCHEMBL20958018 0.78 CYP1A2 (0.38) CD38CYP2D6CYP2C19
SCHEMBL20957951 0.76 CYP3A4 (0.46) CD38CYP2D6CYP2C19
SCHEMBL20564999 0.76 TSHR (0.39) CD38CYP2D6CYP2B6CYP2C19

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 2 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

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 CD38 791/4885IRAK4 942/4885CNR2 2908/4885

“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.