SCHEMBL5909080

SCHEMBL5909080

CC(=O)N[C@H]1CCN(C(=O)c2ccc(C)nc2)C1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 2/20 0.53
ALDH1A1 P00352 1/20 0.52
CCNK O75909 3/20 0.50
CDK12 Q9NYV4 3/20 0.50
PDE4B Q07343 1/20 0.49
KMT2A Q03164 3/20 0.49
LMNA P02545 1/20 0.49
MEN1 O00255 1/20 0.49
KDM5A P29375 2/20 0.49
GRM5 P41594 2/20 0.48
PDE2A O00408 1/20 0.47
L3MBTL3 Q96JM7 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL5909284 1.00 VNN1 (0.53) VNN1ALDH1A1CCNKCDK12PDE4B
SCHEMBL5909117 0.92 ALDH1A1 (0.52) VNN1ALDH1A1CCNKCDK12PDE4B
SCHEMBL5748313 0.90 ALDH1A1 (0.50) VNN1ALDH1A1CCNKCDK12KMT2A
SCHEMBL5747586 0.90 ALDH1A1 (0.50) VNN1ALDH1A1CCNKCDK12KMT2A
SCHEMBL5746938 0.88 ALDH1A1 (0.53) VNN1ALDH1A1CCNKCDK12KMT2A
SCHEMBL3867365 0.88 ALDH1A1 (0.51) VNN1ALDH1A1CCNKCDK12KMT2A
SCHEMBL5746443 0.88 ALDH1A1 (0.51) VNN1ALDH1A1CCNKCDK12KMT2A
SCHEMBL3862880 0.88 ALDH1A1 (0.53) VNN1ALDH1A1CCNKCDK12KMT2A
SCHEMBL3856964 0.87 ALDH1A1 (0.53) VNN1ALDH1A1KMT2ALMNAMEN1
SCHEMBL5747495 0.87 ALDH1A1 (0.47) VNN1ALDH1A1CCNKCDK12KMT2A

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
US-20030195195-A1 Substituted pyridines having antiangiogenic activity ABBOTT LABORATORIES 2003-10-16 US claimed
US-20060030557-A1 Substituted pyridines having antiangiogenic activity HAVIV FORTUNA 2006-02-09 US disclosed
EP-1494672-A1 AMINOCARBONYL SUBSTITUTED PYRIDINES, PYRIDAZINES, PYRIMIDINES, PYRAZINES AND TRIAZINES HAVING ANTIANGIOGENIC ACTIVITY Abbott Laboratories (US) 2005-01-12 EP disclosed
WO-2003086398-A1 AMINOCARBONYL SUBSTITUTED PYRIDINES, PYRIDAZINES, PYRIMIDINES, PYRAZINES AND TRIAZINES HAVING ANTIANGIOGENIC ACTIVITY ABBOTT LABORATORIES (US) 2003-10-23 WO disclosed
US-20030195195-A1 Substituted pyridines having antiangiogenic activity ABBOTT LABORATORIES 2003-10-16 US 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-20030195195-A1 Substituted pyridines having antiangiogenic activity FLT1, FLT4, KDR VNN1 2897/4885ALDH1A1 206/4885CCNK 99/4885
US-20060030557-A1 Substituted pyridines having antiangiogenic activity FLT4, KDR, FLT1 VNN1 2577/4885ALDH1A1 424/4885CCNK 101/4885

“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.