SCHEMBL21721765

SCHEMBL21721765

CC(C)c1c(-c2cncc(C(C)(C)O)c2)[nH]c2ncnn2c1=O

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM5B Q9UGL1 5/20 0.53
TSHR P16473 2/20 0.37
CYP11B2 P19099 10/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
MTOR P42345 1/20 0.34
PIK3CG P48736 1/20 0.34
CYP11B1 P15538 6/20 0.32
TLR9 Q9NR96 2/20 0.31
TLR8 Q9NR97 2/20 0.31
TLR7 Q9NYK1 2/20 0.31
CYP19A1 P11511 1/20 0.31

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
SCHEMBL31677001 1.00 KDM5B (0.53) KDM5BTSHRCYP11B2PIK3CDPIK3CA
SCHEMBL20074337 0.82 KDM5B (0.44) KDM5BTSHRTLR9TLR8TLR7
SCHEMBL20074140 0.81 KDM5B (0.52) KDM5BTSHRCYP11B2CYP11B1TLR9
SCHEMBL20074336 0.80 KDM5B (0.47) KDM5BTSHRCYP11B2CYP11B1TLR9
SCHEMBL31676967 0.80 KDM5B (0.47) KDM5BTSHRCYP11B2CYP11B1TLR9
SCHEMBL20074331 0.77 KDM5B (0.43) KDM5BTSHRTLR9TLR8TLR7
SCHEMBL20074099 0.76 KDM5B (0.50) KDM5BTSHR
SCHEMBL20074315 0.76 KDM5B (0.51) KDM5B
SCHEMBL31676960 0.76 KDM5B (0.51) KDM5B
SCHEMBL20074277 0.75 KDM5B (0.42) KDM5BTSHR

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-10975084-B2 KDM5 inhibitors MERCK SHARP & DOHME CORP. (US) 2021-04-13 US disclosed
US-20200048258-A1 KDM5 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2020-02-13 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 (2 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-20200048258-A1 KDM5 INHIBITORS KDM5A, KDM5B, KDM5C KDM5B 2/4885TSHR 4342/4885CYP11B2 1964/4885
US-10975084-B2 KDM5 inhibitors KDM5A, KDM5B, KDM5C KDM5B 2/4885TSHR 4342/4885CYP11B2 1964/4885

“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.