SCHEMBL17397802

SCHEMBL17397802

Cn1ncc(C(N)=O)c1S

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 1/20 0.39
ALDH1A1 P00352 3/20 0.36
POLB P06746 1/20 0.36
SIRT3 Q9NTG7 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TSHR P16473 1/20 0.35
TLR8 Q9NR97 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 2/20 0.33
MAP2K1 Q02750 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
MAPT P10636 2/20 0.33
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
TP53 P04637 1/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL5204576 0.79 TSHR (0.44) RIPK2ALDH1A1POLBSIRT3TDP1
SCHEMBL174225 0.78 RIPK2 (0.51) RIPK2ALDH1A1POLBSIRT3TDP1
SCHEMBL6397435 0.78 SMN1; SMN2 (0.49) RIPK2ALDH1A1POLBSIRT3TDP1
SCHEMBL9196622 0.77 CYP1A2 (0.43) ALDH1A1TSHRSMN1; SMN2RAB9ANPC1
SCHEMBL1992512 0.76 RIPK2 (0.39) RIPK2ALDH1A1POLBSIRT3TDP1
SCHEMBL1458362 0.74 RIPK2 (0.41) RIPK2ALDH1A1POLBSIRT3TDP1
SCHEMBL26404933 0.73 NNMT (0.45) RIPK2ALDH1A1POLBSIRT3TDP1
SCHEMBL15998476 0.73 ALDH1A1 (0.46) RIPK2ALDH1A1POLBSIRT3TDP1
SCHEMBL8986609 0.73 RAB9A (0.48) ALDH1A1TSHRSMN1; SMN2RAB9ANPC1
SCHEMBL353368 0.72 POLB (0.41) RIPK2ALDH1A1POLBSMN1; SMN2LMNA

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
EP-3164406-B1 BORONIC ACID DERIVATIVES AND THERAPEUTIC USES THEREOF QPEX BIOPHARMA INC (US) 2024-12-25 EP disclosed
US-10206937-B2 Boronic acid derivatives and therapeutic uses thereof QPEX BIOPHARMA, INC. (US) 2019-02-19 US disclosed
US-20170136047-A1 BORONIC ACID DERIVATIVES AND THERAPEUTIC USES THEREOF REMPEX PHARMACEUTICALS, INC. (US) 2017-05-18 US disclosed
EP-3164406-A1 BORONIC ACID DERIVATIVES AND THERAPEUTIC USES THEREOF Rempex Pharmaceuticals, Inc. (US) 2017-05-10 EP disclosed
WO-2016003929-A1 BORONIC ACID DERIVATIVES AND THERAPEUTIC USES THEREOF REMPEX PHARMACEUTICALS, INC. (US) 2016-01-07 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-10206937-B2 Boronic acid derivatives and therapeutic uses thereof BCL6B, BTD, BCL6 RIPK2 3333/4885ALDH1A1 1999/4885POLB 1563/4885
US-20170136047-A1 BORONIC ACID DERIVATIVES AND THERAPEUTIC USES THEREOF BCL6B, BTD, BCL6 RIPK2 3333/4885ALDH1A1 1999/4885POLB 1563/4885

“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.