SCHEMBL5909286

SCHEMBL5909286

Cc1nc(-c2ccccc2)ncc1C(=O)N1CCCC1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 1/20 0.47
DGAT1 O75907 1/20 0.47
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
TSHR P16473 1/20 0.46
HPGD P15428 3/20 0.46
GAA P10253 2/20 0.46
ALDH1A1 P00352 3/20 0.44
MAPK1 P28482 3/20 0.44
LMNA P02545 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD11B1 P28845 1/20 0.42
MAPT P10636 1/20 0.41
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NAMPT P43490 1/20 0.41
HCRTR1 O43613 4/20 0.41

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
SCHEMBL5909014 0.81 HCRTR2 (0.58) GABRA5MEN1KMT2ATSHRHCRTR1
SCHEMBL22054767 0.74 KMT2A (0.59) MEN1KMT2ATSHRHPGDGAA
SCHEMBL5909267 0.74 KMT2A (0.53) MEN1KMT2ATSHRHPGDGAA
SCHEMBL12812547 0.74 HPGD (0.75) MEN1KMT2ATSHRHPGDGAA
SCHEMBL403150 0.74 ALDH1A1 (0.63) DGAT1MEN1KMT2AHPGDGAA
Hydrochloric Acid SCHEMBL3228101 0.72 ALDH1A1 (0.62) DGAT1MEN1KMT2AHPGDGAA
SCHEMBL16220587 0.72 KMT2A (0.54) DGAT1MEN1KMT2AHPGDALDH1A1
SCHEMBL5909093 0.72 HPGD (0.52) GABRA5MEN1KMT2AHPGDGAA
SCHEMBL3619915 0.71 DGAT1 (0.51) DGAT1MEN1KMT2AHPGDGAA
SCHEMBL1364923 0.71 DGAT1 (0.53) GABRA5DGAT1KMT2AHPGDALDH1A1

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
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

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-20040014744-A1 Substituted pyridines having antiangiogenic activity FLT1, FLT4, KDR GABRA5 4209/4885DGAT1 3922/4885MEN1 2787/4885
US-20060030557-A1 Substituted pyridines having antiangiogenic activity FLT4, KDR, FLT1 GABRA5 3480/4885DGAT1 4213/4885MEN1 3483/4885

“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.