SCHEMBL21495032

SCHEMBL21495032

COc1ccc(COC(=O)Nc2ncc(-c3cnccn3)s2)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 7/20 0.55
LIMK2 P53671 7/20 0.55
TESK1 Q15569 4/20 0.55
TESK2 Q96S53 4/20 0.55
MAPK8 P45983 1/20 0.51
MAPK9 P45984 1/20 0.51
MAPK10 P53779 1/20 0.51
CSNK2A2 P19784 6/20 0.47
CSNK2A1 P68400 6/20 0.47
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
RAB9A P51151 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL19031284 0.77 CSNK2A2 (0.52) CSNK2A2CSNK2A1ALDH1A1
SCHEMBL21495082 0.74 RAB9A (0.63) SMN1; SMN2RAB9AALDH1A1
SCHEMBL28518148 0.74 LIMK1 (0.51) LIMK1LIMK2TESK1TESK2
SCHEMBL5999957 0.74 LIMK1 (0.63) LIMK1LIMK2TESK1TESK2
SCHEMBL21495031 0.73 MLYCD (0.50) LIMK1LIMK2TESK1TESK2MAPK8
SCHEMBL19031383 0.72 ABL1 (0.44) HTTSMN1; SMN2RAB9AALDH1A1
SCHEMBL19281696 0.72 CSNK2A2 (0.44) CSNK2A2CSNK2A1RAB9A
SCHEMBL6002138 0.71 LIMK1 (1.00) LIMK1LIMK2TESK1TESK2
SCHEMBL6001410 0.71 LIMK1 (0.86) LIMK1LIMK2TESK1TESK2
SCHEMBL21484611 0.69 WNT3A (0.48) HTTSMN1; SMN2RAB9AALDH1A1

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
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
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 LIMK1 3672/4885LIMK2 3891/4885TESK1 2936/4885
US-20220002282-A1 SUBSTITUTED AMINOTHIAZOLES AS INHIBITORS OF NUCLEASES RNASEH1, DNASE1, FEN1 LIMK1 3672/4885LIMK2 3891/4885TESK1 2936/4885

“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.