SCHEMBL5207178

SCHEMBL5207178

Cc1nc(-c2cnccn2)sc1C(N)=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.60
LMNA P02545 2/20 0.60
CYP3A4 P08684 2/20 0.60
CYP2C19 P33261 1/20 0.60
CDC7 O00311 3/20 0.56
DBF4 Q9UBU7 3/20 0.56
HTT P42858 1/20 0.51
RECQL P46063 1/20 0.51
KDM4E B2RXH2 4/20 0.49
ALDH1A1 P00352 3/20 0.49
KMT2A Q03164 1/20 0.49
GAA P10253 2/20 0.47
BRAF P15056 1/20 0.45
GSK3B P49841 1/20 0.44
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
CCNE1 P24864 2/20 0.41
CDK2 P24941 2/20 0.41
ADORA3 P0DMS8 1/20 0.41

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
SCHEMBL1574366 0.87 ALDH1A1 (0.65) CYP1A2LMNACYP3A4CYP2C19CDC7
SCHEMBL658672 0.87 KDM4E (0.65) CYP1A2LMNACYP3A4CYP2C19CDC7
SCHEMBL192423 0.85 CDC7 (0.56) CYP1A2LMNACYP3A4CYP2C19CDC7
Hydrochloric Acid SCHEMBL19119532 0.85 KDM4E (0.63) CYP1A2LMNACYP3A4CYP2C19CDC7
SCHEMBL13407998 0.84 KDM4E (0.67) CYP1A2CYP3A4CYP2C19CDC7DBF4
SCHEMBL13389342 0.82 CDC7 (0.53) CYP1A2LMNACYP3A4CYP2C19CDC7
SCHEMBL6114337 0.82 CDC7 (0.56) CYP1A2LMNACYP3A4CYP2C19CDC7
SCHEMBL13178517 0.81 CDC7 (0.81) LMNACDC7DBF4HTTRECQL
SCHEMBL7063637 0.79 KDM4E (0.76) CYP1A2LMNACYP3A4CYP2C19KDM4E
SCHEMBL17790299 0.76 HTT (0.54) CYP1A2CDC7DBF4HTTRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (3 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 CYP1A2 375/4885LMNA 1672/4885CYP3A4 341/4885
US-20060211636-A1 Macrolide Antibiotics IL1R1, MRPL12, RPS21 CYP1A2 375/4885LMNA 1672/4885CYP3A4 341/4885
US-20040077557-A1 Macrolide antibiotics MALT1, MRPL21, IL1R1 CYP1A2 362/4885LMNA 1504/4885CYP3A4 500/4885

“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.