SCHEMBL5209668

SCHEMBL5209668

Cc1nc(C)c(-c2cc[nH]n2)s1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
HTT P42858 2/20 0.49
CDK4 P11802 1/20 0.49
CCNE1 P24864 1/20 0.49
CDK2 P24941 1/20 0.49
COMT P21964 15/20 0.48
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
KMT2A Q03164 1/20 0.42
TRPV4 Q9HBA0 1/20 0.42

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
SCHEMBL18480850 0.77 CDK4 (0.41) LMNAHTTCDK4CDK2COMT
SCHEMBL18480754 0.77 MKNK2 (0.43) LMNAHTTCDK4CCNE1CDK2
SCHEMBL6842100 0.77 CDC7 (0.44) LMNAHTTCCNE1CDK2COMT
SCHEMBL18480756 0.73 CDK4 (0.51) CDK4CDK2NPC1
SCHEMBL1680228 0.73 CYP3A4 (0.49) LMNAHTTCOMTALDH1A1HPGD
SCHEMBL3572286 0.73 CDK2 (0.49) LMNAHTTCDK4CCNE1CDK2
SCHEMBL31553295 0.73 COMT (0.51) LMNAHTTCDK4CCNE1CDK2
SCHEMBL12537263 0.71 COMT (0.52) LMNAHTTCDK4CCNE1CDK2
SCHEMBL29816625 0.69 NPC1 (0.42) ALDH1A1HPGDSMN1; SMN2NPSR1HSD17B10
SCHEMBL1673128 0.68

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
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
CN-1492874-A Macrolide antibiotics 2004-04-28 CN 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 LMNA 1672/4885HTT 3482/4885CDK4 2506/4885
US-20060211636-A1 Macrolide Antibiotics IL1R1, MRPL12, RPS21 LMNA 1672/4885HTT 3482/4885CDK4 2506/4885
US-20040077557-A1 Macrolide antibiotics MALT1, MRPL21, IL1R1 LMNA 1504/4885HTT 3592/4885CDK4 3110/4885

“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.