SCHEMBL21495064

SCHEMBL21495064

Nc1ncc(-c2cnccn2)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.46
PIK3CD O00329 1/20 0.44
PIK3CA P42336 1/20 0.44
PIK3CB P42338 1/20 0.44
PI4KA P42356 1/20 0.44
PIK3CG P48736 1/20 0.44
PI4KB Q9UBF8 1/20 0.44
LIMK1 P53667 1/20 0.43
CSNK2A1 P68400 1/20 0.42
MAPK14 Q16539 1/20 0.41
BACE1 P56817 1/20 0.41
HTT P42858 1/20 0.40
RECQL P46063 1/20 0.40
ALDH1A1 P00352 3/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NOS1 P29475 1/20 0.39
CYP1A2 P05177 2/20 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
SCHEMBL21242477 0.75 NOS1 (0.55) HSP90AA1LIMK1CSNK2A1MAPK14BACE1
SCHEMBL30279938 0.74 CYP2A6 (0.59) HSP90AA1PIK3CDPIK3CAPI4KAPI4KB
SCHEMBL17889606 0.74 MAPK14 (0.61) HSP90AA1PIK3CDPIK3CAPI4KAPIK3CG
SCHEMBL15641472 0.74 CYP2A6 (0.59) HSP90AA1PIK3CDPIK3CAPI4KAPI4KB
SCHEMBL5960025 0.73 CSNK2A1 (0.56) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL24956343 0.73 ALDH1A1 (0.39) HSP90AA1PIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL16526023 0.73 HSP90AA1 (0.47) HSP90AA1LIMK1CSNK2A1MAPK14BACE1
Hydrochloric Acid SCHEMBL31452773 0.73 CYP2A6 (0.58) HSP90AA1PIK3CDPIK3CAPI4KAPI4KB
Hydrochloric Acid SCHEMBL31452786 0.72 CSNK2A1 (0.54) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL6521674 0.72 KDM4E (0.46) CSNK2A1ALDH1A1CYP1A2KDRHDAC1

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 4 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

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 HSP90AA1 1756/4885PIK3CD 4218/4885PIK3CA 3322/4885
US-20220002282-A1 SUBSTITUTED AMINOTHIAZOLES AS INHIBITORS OF NUCLEASES RNASEH1, DNASE1, FEN1 HSP90AA1 1756/4885PIK3CD 4218/4885PIK3CA 3322/4885

“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.