SCHEMBL5909354

SCHEMBL5909354

Cc1ccc(C(=O)N2CCCC2c2ccccc2)cn1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCNC P24863 3/20 0.56
CDK8 P49336 3/20 0.56
CNR1 P21554 1/20 0.54
CNR2 P34972 1/20 0.54
LMNA P02545 1/20 0.53
ROCK2 O75116 2/20 0.53
RIPK1 Q13546 1/20 0.53
SCD5 Q86SK9 6/20 0.50
SCD O00767 5/20 0.50
HSP90AA1 P07900 1/20 0.50
HSP90AB1 P08238 1/20 0.50
DRD2 P14416 1/20 0.49
GSK3A P49840 1/20 0.49
CDK9 P50750 1/20 0.49
SLC6A3 Q01959 1/20 0.49
PRMT5 O14744 1/20 0.47
WDR77 Q9BQA1 1/20 0.47
PARP14 Q460N5 1/20 0.47
PARP10 Q53GL7 1/20 0.47

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
SCHEMBL5909347 0.89 ALDH1A1 (0.59) LMNAPRMT5WDR77
SCHEMBL4529142 0.82 GRM5 (0.47) CCNCCDK8ROCK2RIPK1SCD5
SCHEMBL990302 0.81 GRM5 (0.71) CCNCCDK8DRD2GSK3ACDK9
SCHEMBL6275232 0.81 ALDH1A1 (0.60) CNR1CNR2LMNA
SCHEMBL5909277 0.81 ALDH1A1 (0.60) CNR1CNR2LMNA
SCHEMBL5909188 0.80 GAA (0.63) CNR1CNR2LMNA
SCHEMBL5909226 0.80 GAA (0.63) CNR1CNR2LMNA
SCHEMBL5909293 0.80 GAA (0.63) CNR1CNR2LMNA
SCHEMBL991465 0.78 GRM5 (0.75) PRMT5WDR77
SCHEMBL5909206 0.78 CNR1 (0.50) CNR1CNR2LMNAROCK2

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 6 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
US-20040014744-A1 Substituted pyridines having antiangiogenic activity ABBOTT LABORATORIES 2004-01-22 US 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 (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-20040014744-A1 Substituted pyridines having antiangiogenic activity FLT1, FLT4, KDR CCNC 82/4885CDK8 137/4885CNR1 1049/4885
US-20030195195-A1 Substituted pyridines having antiangiogenic activity FLT1, FLT4, KDR CCNC 82/4885CDK8 137/4885CNR1 1049/4885
US-20060030557-A1 Substituted pyridines having antiangiogenic activity FLT4, KDR, FLT1 CCNC 69/4885CDK8 104/4885CNR1 1154/4885

“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.