SCHEMBL21495022

SCHEMBL21495022

N#CCC(=O)Nc1nc(-c2ccccn2)c(-c2cnccn2)s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.50
ADORA1 P30542 2/20 0.50
ADORA3 P0DMS8 1/20 0.45
ADORA2B P29275 1/20 0.45
KDM4E B2RXH2 4/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 2/20 0.39
HTT P42858 2/20 0.39
RAB9A P51151 2/20 0.39
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NTRK1 P04629 1/20 0.38
JAK2 O60674 1/20 0.38
JAK3 P52333 1/20 0.38
PTGS2 P35354 1/20 0.38
MAPK9 P45984 1/20 0.37
WNT3A P56704 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
SCHEMBL21484796 0.90 ADORA2A (0.55) ADORA2AADORA1ADORA3ADORA2BKDM4E
SCHEMBL21517387 0.75 ADORA2A (0.58) ADORA2AADORA1ADORA3ADORA2BKDM4E
SCHEMBL21505755 0.74 EGFR (0.49) KDM4EMEN1KMT2AALDH1A1RAB9A
SCHEMBL21495028 0.74 KDM4E (0.46) KDM4EMEN1KMT2AALDH1A1PTGS2
SCHEMBL21505923 0.74 ADORA2A (0.56) ADORA2AADORA1ADORA3ADORA2BKDM4E
SCHEMBL21484682 0.73 ALDH1A1 (0.64) ADORA3KDM4EMEN1KMT2AALDH1A1
SCHEMBL21484729 0.73 PTGS2 (0.58) ADORA2AADORA1ADORA3ADORA2BKDM4E
SCHEMBL21495007 0.69 TGFBR1 (0.63) ALDH1A1MAPT
SCHEMBL2789732 0.68 ACP1 (0.67) ADORA1KDM4EMEN1KMT2AALDH1A1
SCHEMBL18230379 0.68 ADORA2A (0.71) ADORA2AADORA1ADORA3ADORA2BMEN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11584742-B2 Substituted aminothiazoles as inhibitors of nucleases MASARYKOVA UNIVERZITA (CZ) 2023-02-21 US disclosed
US-20220002282-A1 SUBSTITUTED AMINOTHIAZOLES AS INHIBITORS OF NUCLEASES MASARYKOVA UNIVERZITA (CZ) 2022-01-06 US disclosed
CN-112313229-A Substituted aminothiazoles as inhibitors of nucleases 马萨里克大学 2021-02-02 CN disclosed
WO-2019201865-A1 SUBSTITUTED AMINOTHIAZOLES AS INHIBITORS OF NUCLEASES MASARYKOVA UNIVERZITA (CZ) 2019-10-24 WO disclosed
WO-2019201865-A1 SUBSTITUTED AMINOTHIAZOLES AS INHIBITORS OF NUCLEASES MASARYKOVA UNIVERZITA (CZ) 2019-10-24 WO 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-11584742-B2 Substituted aminothiazoles as inhibitors of nucleases RNASEH1, DNASE1, FEN1 ADORA2A 1553/4885ADORA1 760/4885ADORA3 1009/4885
US-20220002282-A1 SUBSTITUTED AMINOTHIAZOLES AS INHIBITORS OF NUCLEASES RNASEH1, DNASE1, FEN1 ADORA2A 1553/4885ADORA1 760/4885ADORA3 1009/4885

“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.