SCHEMBL21720950

SCHEMBL21720950

CC(C)c1c(-c2ccnc3ccccc23)[nH]c2ncnn2c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5B Q9UGL1 1/20 0.50
IDO1 P14902 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
ESR1 P03372 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
PTK2B Q14289 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ACVR1 Q04771 7/20 0.38
TGFBR1 P36897 2/20 0.37
BMPR1B O00238 1/20 0.37
RAF1 P04049 1/20 0.37
BRAF P15056 1/20 0.37
BMPR1A P36894 1/20 0.37
ACVR1B P36896 1/20 0.37
ACVRL1 P37023 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL31676998 0.79 KDM5B (0.46) KDM5BIDO1KDM4EHPGDMAPK14
SCHEMBL31676969 0.79 KDM5B (0.46) KDM5BMAPTSMN1; SMN2HPGDMAPK14
SCHEMBL20074114 0.79 KDM5B (0.46) KDM5BIDO1KDM4EHPGDMAPK14
SCHEMBL21721768 0.79 KDM5B (0.46) KDM5BMAPTSMN1; SMN2HPGDMAPK14
SCHEMBL20074277 0.78 KDM5B (0.42) KDM5BTP53MAPTKDM4EALDH1A1
SCHEMBL31676958 0.77 KDM5A (0.40) KDM5BTSHR
SCHEMBL21721694 0.76 KDM5B (0.53) KDM5B
SCHEMBL20074177 0.76 KDM5B (0.52) KDM5BBRAFTSHRAURKAAURKB
SCHEMBL31676965 0.76 KDM5B (0.52) KDM5BBRAFTSHRAURKAAURKB
SCHEMBL20074331 0.75 KDM5B (0.43) KDM5BALDH1A1MAPK14TSHR

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 2/4885IDO1 764/4885NPC1 3937/4885
US-10975084-B2 KDM5 inhibitors KDM5A, KDM5B, KDM5C KDM5B 2/4885IDO1 764/4885NPC1 3937/4885

“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.