SCHEMBL20980441

SCHEMBL20980441

CSNC(=O)COc1nc(-n2ccnc2)nc(O)c1C(C)C

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CD38 P28907 12/20 0.38
GFER P55789 1/20 0.35
MAPT P10636 4/20 0.34
LMNA P02545 3/20 0.34
HTT P42858 2/20 0.34
ALDH1A1 P00352 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CYP2D6 P10635 2/20 0.33
TP53 P04637 1/20 0.33
CYP2B6 P20813 1/20 0.33
CYP2C19 P33261 1/20 0.33
CYP3A4 P08684 1/20 0.33
PORCN Q9H237 1/20 0.33
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL20958060 0.85 CD38 (0.41) CD38HTTCYP2D6CYP2B6CYP2C19
SCHEMBL20564951 0.85 CD38 (0.40) CD38LMNANPSR1CYP2D6CYP2B6
SCHEMBL20563854 0.85 CD38 (0.38) CD38MAPTLMNAHTTALDH1A1
SCHEMBL20958059 0.81 NOTUM (0.48) MAPTLMNAHTTALDH1A1TP53
SCHEMBL20565316 0.78 ALDH1A1 (0.37) CD38ALDH1A1CYP2D6TP53CYP2C19
SCHEMBL20958012 0.77 FKBP1A (0.44) CD38MAPTHTTALDH1A1NPSR1
SCHEMBL20957951 0.76 CYP3A4 (0.46) CD38MAPTHTTNPSR1CYP2D6
SCHEMBL20564999 0.76 TSHR (0.39) CD38LMNAHTTALDH1A1NPSR1
SCHEMBL20957980 0.75 CYP1A2 (0.47) CD38HTTALDH1A1CYP2D6TP53
SCHEMBL20958063 0.75 TSHR (0.42) LMNAHTTALDH1A1NPSR1CYP2D6

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-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 791/4885GFER 3584/4885MAPT 3284/4885

“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.