SCHEMBL3857604

SCHEMBL3857604

Cc1ccc(C(=O)N2CC[C@@H](N)C2)cn1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.55
KMT2A Q03164 2/20 0.52
LMNA P02545 1/20 0.52
MEN1 O00255 1/20 0.52
GRM5 P41594 3/20 0.51
PDE2A O00408 1/20 0.50
KDM1A O60341 5/20 0.47
KCNH2 Q12809 1/20 0.47
L3MBTL3 Q96JM7 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
VNN1 O95497 1/20 0.43

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
SCHEMBL5909143 1.00 ALDH1A1 (0.55) ALDH1A1KMT2ALMNAMEN1GRM5
SCHEMBL5744752 1.00 ALDH1A1 (0.55) ALDH1A1KMT2ALMNAMEN1GRM5
SCHEMBL14731432 0.92 ALDH1A1 (0.61) ALDH1A1KMT2ALMNAMEN1GRM5
Trifluoroacetic Acid SCHEMBL3857570 0.92 KCNH2 (0.48) ALDH1A1KMT2ALMNAMEN1GRM5
SCHEMBL2431433 0.92 GRM5 (0.53) ALDH1A1KMT2ALMNAMEN1GRM5
SCHEMBL12426729 0.84 KCNH2 (0.50) GRM5KDM1AKCNH2L3MBTL3L3MBTL1
SCHEMBL26944349 0.84 GRM5 (0.54) ALDH1A1KMT2ALMNAMEN1GRM5
SCHEMBL5908999 0.84 ALDH1A1 (0.61) ALDH1A1KMT2ALMNAMEN1GRM5
SCHEMBL26421666 0.83 KCNH2 (0.44) GRM5KDM1AKCNH2L3MBTL3L3MBTL1
SCHEMBL26421617 0.83 ALDH1A1 (0.47) ALDH1A1GRM5KDM1AKCNH2L3MBTL3

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 9 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-7592466-B2 Ureas having antiangiogenic activity ABBOTT LABORATORIES (US) 2009-09-22 US disclosed
EP-1680415-B1 PYRROLIDINYL UREA DERIVATIVES AS ANGIOGENESIS INHIBITORS ABBOTT LAB (US) 2008-12-31 EP disclosed
US-20060160806-A1 N-benzyl-N'-{(3R)-1-[(6-methylpyridin-3-yl)carbonyl]pyrrolidin-3-yl}urea ABBVIE INC. 2006-07-20 US disclosed
EP-1680415-A1 PYRROLIDINYL UREA DERIVATIVES AS ANGIOGENESIS INHIBITORS Abbott Laboratories (US) 2006-07-19 EP disclosed
US-20060030557-A1 Substituted pyridines having antiangiogenic activity HAVIV FORTUNA 2006-02-09 US disclosed
WO-2005035524-A1 PYRROLIDINYL UREA DERIVATIVES AS ANGIOGENSIS INHIBITORS ABBOTT LABORATORIES (US) 2005-04-21 WO disclosed
US-20040014744-A1 Substituted pyridines having antiangiogenic activity ABBOTT LABORATORIES 2004-01-22 US 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 (4 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 ALDH1A1 206/4885KMT2A 3266/4885LMNA 3306/4885
US-20030195195-A1 Substituted pyridines having antiangiogenic activity FLT1, FLT4, KDR ALDH1A1 206/4885KMT2A 3266/4885LMNA 3306/4885
US-20060160806-A1 N-benzyl-N'-{(3R)-1-[(6-methylpyridin-3-yl)carbonyl]pyrrolidin-3-yl}urea FLT4, FLT1, KDR ALDH1A1 1710/4885KMT2A 4101/4885LMNA 2101/4885
US-20060030557-A1 Substituted pyridines having antiangiogenic activity FLT4, KDR, FLT1 ALDH1A1 424/4885KMT2A 3317/4885LMNA 3161/4885

“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.