SCHEMBL21218331

SCHEMBL21218331

CCOc1cc(N)cc2c1ncn2C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.41
CTSK P43235 1/20 0.41
MAPT P10636 4/20 0.40
KDM4E B2RXH2 3/20 0.40
GAA P10253 1/20 0.40
ALDH1A1 P00352 4/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
HPGD P15428 2/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
LMNA P02545 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
TLR8 Q9NR97 1/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL21218354 0.80 SMN1; SMN2 (0.50) MAPTKDM4EGAAL3MBTL1TP53
SCHEMBL31140540 0.77 TSHR (0.46) CTSSCTSKMAPTGAAMEN1
SCHEMBL21218389 0.75 KDM4E (0.37) MAPTKDM4EGAAALDH1A1L3MBTL1
SCHEMBL27249581 0.75 ALDH1A1 (0.43) CTSSCTSKMAPTKDM4EGAA
SCHEMBL31541896 0.74 C1S (0.39) MAPTKDM4EGAAALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL30071620 0.72 ADORA2A (0.37) CTSSCTSKKDM4EGAAALDH1A1
SCHEMBL2919936 0.72 ALDH1A1 (0.45) KDM4EALDH1A1HPGDCYP3A4MEN1
SCHEMBL24402263 0.68 PDE4D (0.43) CTSSCTSKMAPTKDM4EALDH1A1
SCHEMBL23579933 0.68 DPP4 (0.54) CYP3A4KMT2ADPP4DYRK1ACDK1
SCHEMBL9324581 0.67 KDM4E (0.55) MAPTKDM4EGAAALDH1A1L3MBTL1

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-20190233463-A1 CYCLIC PHOSPHATE SUBSTITUTED NUCLEOSIDE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2019-08-01 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-20190233463-A1 CYCLIC PHOSPHATE SUBSTITUTED NUCLEOSIDE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES PNP, TYMP, NUDT1 CTSS 2906/4885CTSK 3200/4885MAPT 4339/4885

“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.