SCHEMBL20957960

SCHEMBL20957960

CC(C)Cn1cc(-c2nc(-n3ccnc3)nc(O)c2C(C)C)cn1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM5B Q9UGL1 9/20 0.44
KDM5A P29375 1/20 0.41
JAK2 O60674 8/20 0.35
MAPK1 P28482 1/20 0.35
JAK1 P23458 7/20 0.33
TYK2 P29597 7/20 0.33
JAK3 P52333 7/20 0.33
NPC1 O15118 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL20957919 0.90 KDM5B (0.43) KDM5BKDM5ANPC1TSHRHSD17B10
SCHEMBL20958031 0.89 KDM5B (0.46) KDM5BKDM5AJAK2JAK1TYK2
SCHEMBL20957957 0.88 KDM5B (0.45) KDM5BKDM5AJAK2MAPK1JAK1
SCHEMBL20958016 0.88 KDM5B (0.47) KDM5BKDM5AJAK2JAK1TYK2
SCHEMBL20564478 0.86 KDM5B (0.37) KDM5BKDM5AJAK2JAK1TYK2
SCHEMBL20957983 0.86 KDM5B (0.52) KDM5BMAPK1NPC1TSHRHSD17B10
SCHEMBL20957922 0.86 JAK2 (0.41) KDM5BJAK2MAPK1JAK1TYK2
SCHEMBL20957925 0.85 KDM5B (0.48) KDM5BKDM5A
SCHEMBL20565455 0.85 KDM5B (0.36) KDM5BKDM5AJAK2JAK1TYK2
SCHEMBL20957909 0.84 KDM5B (0.41) KDM5BKDM5AJAK2MAPK1JAK1

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 KDM5B 2/4885KDM5A 1/4885JAK2 869/4885

“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.