SCHEMBL5717577

SCHEMBL5717577

Cc1nc(C)c(-c2ccn(CCC=O)n2)s1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 2/20 0.38
CDK2 P24941 2/20 0.38
CCNE1 P24864 1/20 0.38
LMNA P02545 2/20 0.37
HTT P42858 2/20 0.37
COMT P21964 9/20 0.37
OPRM1 P35372 3/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TRPV4 Q9HBA0 2/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
KMT2A Q03164 1/20 0.33
EED O75530 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
SCHEMBL14401137 0.76 CDK4 (0.47) CDK4CDK2CCNE1LMNAHTT
SCHEMBL20826292 0.71 THRB (0.39) LMNAHTTALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL14375486 0.68 DYRK1A (0.43) CDK4CDK2CCNE1LMNAHTT
SCHEMBL27599944 0.68 CDK4 (0.38) CDK4CDK2CCNE1LMNAHTT
SCHEMBL31644347 0.67 MEN1 (0.33) LMNASMN1; SMN2L3MBTL1MEN1NPC1
SCHEMBL2745191 0.66 CYP2C9 (0.33) LMNAHTTCOMTALDH1A1HPGD
SCHEMBL1883375 0.63 KDM4E (0.33) COMTALDH1A1HPGDSMN1; SMN2
SCHEMBL19289273 0.63 CRHR1 (0.33) LMNAALDH1A1NPSR1
SCHEMBL3568757 0.62 CDK2 (0.41) CDK4CDK2CCNE1LMNAHTT
SCHEMBL31553298 0.61 TP53 (0.41) LMNAHTTSMN1; SMN2NPSR1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20050215495-A1 Macrolide antibiotics IL1R1, MRPL12, RPS21 CDK4 2506/4885CDK2 3464/4885CCNE1 659/4885
US-20060211636-A1 Macrolide Antibiotics IL1R1, MRPL12, RPS21 CDK4 2506/4885CDK2 3464/4885CCNE1 659/4885

“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.