SCHEMBL5204576

SCHEMBL5204576

Cn1ncc(C(N)=O)c1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
NNMT P40261 1/20 0.41
RIPK2 O43353 1/20 0.41
HTT P42858 2/20 0.39
SIRT3 Q9NTG7 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
LMNA P02545 2/20 0.37
KDM4E B2RXH2 1/20 0.37
TLR8 Q9NR97 1/20 0.36
AHR P35869 1/20 0.36
CYP1A2 P05177 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
SIRT6 Q8N6T7 1/20 0.36
KAT2B Q92831 1/20 0.36
BRD9 Q9H8M2 1/20 0.36
NPC1 O15118 1/20 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
SCHEMBL966692 0.83 KDM4E (0.41) HTTTDP1ALDH1A1POLBSMN1; SMN2
SCHEMBL2015049 0.83 MAPK1 (0.45) HTTTDP1ALDH1A1SMN1; SMN2LMNA
SCHEMBL619113 0.83 HTT (0.36) HTTALDH1A1SMN1; SMN2LMNAAHR
SCHEMBL6397435 0.81 SMN1; SMN2 (0.49) NNMTRIPK2HTTSIRT3TDP1
SCHEMBL174225 0.81 RIPK2 (0.51) TSHRRIPK2SIRT3TDP1ALDH1A1
SCHEMBL17397802 0.79 RIPK2 (0.39) TSHRNNMTRIPK2HTTSIRT3
SCHEMBL1992512 0.79 RIPK2 (0.39) TSHRNNMTRIPK2HTTSIRT3
SCHEMBL9204354 0.79 CYP1A2 (0.44) TSHRALDH1A1KDM4ECYP1A2HPGD
SCHEMBL353368 0.79 POLB (0.41) RIPK2ALDH1A1POLBSMN1; SMN2LMNA
SCHEMBL1458362 0.78 RIPK2 (0.41) TSHRRIPK2HTTSIRT3TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12240862-B2 Inhibitors of peptidylarginine deiminases GILEAD SCIENCES, INC. (US) 2025-03-04 US disclosed
EP-1363925-B8 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2007-04-25 EP disclosed
EP-1363925-B1 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2006-11-15 EP disclosed
US-20060211636-A1 Macrolide Antibiotics ALIHODZIC SULEJMAN 2006-09-21 US disclosed
US-20050215495-A1 Macrolide antibiotics ALIHODZIC SULEJMAN 2005-09-29 US disclosed
US-20040077557-A1 Macrolide antibiotics GLAXO GROUP LIMITED (GB) 2004-04-22 US disclosed
EP-1363925-A1 MACROLIDE ANTIBIOTICS GLAXO GROUP LIMITED (GB) 2003-11-26 EP disclosed
WO-2002050091-A1 MACROLIDE ANTIBIOTICS GLAXO GROUP LIMITED (GB) 2002-06-27 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 (4 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-20050215495-A1 Macrolide antibiotics IL1R1, MRPL12, RPS21 TSHR 723/4885NNMT 4578/4885RIPK2 3626/4885
US-20060211636-A1 Macrolide Antibiotics IL1R1, MRPL12, RPS21 TSHR 723/4885NNMT 4578/4885RIPK2 3626/4885
US-20040077557-A1 Macrolide antibiotics MALT1, MRPL21, IL1R1 TSHR 1579/4885NNMT 4522/4885RIPK2 3603/4885
US-12240862-B2 Inhibitors of peptidylarginine deiminases PADI4, PADI2, PADI1 TSHR 1815/4885NNMT 13/4885RIPK2 1294/4885

“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.