SCHEMBL21721728

SCHEMBL21721728

CC(C)c1c(-c2csc(-c3ccccc3)n2)[nH]c2ncnn2c1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5B Q9UGL1 4/20 0.53
SMN1; SMN2 Q16637 7/20 0.40
RAB9A P51151 6/20 0.40
NPC1 O15118 5/20 0.40
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
CDK5 Q00535 3/20 0.39
CDK5R1 Q15078 3/20 0.39
MAPT P10636 3/20 0.39
HTT P42858 2/20 0.39
TP53 P04637 1/20 0.39
KDM4E B2RXH2 3/20 0.39
SREBF2 Q12772 1/20 0.38
CYP19A1 P11511 1/20 0.38
APOBEC3G Q9HC16 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL20074277 0.83 KDM5B (0.42) KDM5BKMT2AMEN1MAPTTP53
SCHEMBL21681716 0.80 KDM5B (0.55) KDM5BSMN1; SMN2RAB9ANPC1MAPT
SCHEMBL20074350 0.80 KDM5B (0.52) KDM5BKMT2AMEN1TP53
SCHEMBL21681714 0.80 KDM5B (0.53) KDM5B
SCHEMBL21681713 0.78 KDM5B (0.56) KDM5BRAB9ANPC1
SCHEMBL21721792 0.75 KDM5B (0.47) KDM5B
SCHEMBL20074331 0.75 KDM5B (0.43) KDM5BCDK5CDK5R1
SCHEMBL20074252 0.74 KDM5B (0.52) KDM5B
SCHEMBL31676989 0.74 KDM5B (0.52) KDM5B
SCHEMBL20074336 0.73 KDM5B (0.47) KDM5BSMN1; 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
EP-3525785-B1 KDM5 INHIBITORS MERCK SHARP & DOHME LLC (US) 2025-08-27 EP claimed
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 2/4885SMN1; SMN2 2028/4885RAB9A 3665/4885
US-10975084-B2 KDM5 inhibitors KDM5A, KDM5B, KDM5C KDM5B 2/4885SMN1; SMN2 2028/4885RAB9A 3665/4885

“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.