SCHEMBL1465529

SCHEMBL1465529

COC(=O)c1nccnc1NCc1ccncc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR P35968 11/20 0.46
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 1/20 0.45
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
FLT1 P17948 3/20 0.43
PGK1 P00558 1/20 0.43
PDE5A O76074 1/20 0.42
NAMPT P43490 1/20 0.42
MAPT P10636 1/20 0.41
KDM4E B2RXH2 1/20 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
SCHEMBL15529175 0.86 MAPT (0.57) ALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL6542710 0.80 KDR (0.62) KDRALDH1A1
SCHEMBL7996592 0.78 KDR (0.45) KDRALDH1A1SMN1; SMN2LMNAHDAC3
SCHEMBL1466583 0.76 KDR (0.60) KDRALDH1A1HDAC3HDAC1HDAC2
SCHEMBL11080584 0.75 SCD (0.46) SMN1; SMN2MAPTKDM4E
SCHEMBL27089179 0.74 KDM4E (0.56) ALDH1A1MAPTKDM4E
SCHEMBL11922254 0.74 SCD (0.37) ALDH1A1SMN1; SMN2LMNA
SCHEMBL16506482 0.74 ALDH1A1 (0.43) ALDH1A1LMNAKDM4E
SCHEMBL26922126 0.73 KDM4E (0.55) ALDH1A1KDM4E
SCHEMBL12296252 0.73 SCD (0.44) ALDH1A1SMN1; SMN2MAPTKDM4E

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-20110071165-A1 Aza- and polyazanthranyl amides and their use as medicaments NOVARTIS AG (CH) 2011-03-24 US claimed
US-20060287339-A1 Aza- and polyazanthranyl amides and their use as medicaments SEIDELMANN DIETER 2006-12-21 US claimed
US-20040224968-A1 Aza-and polyazanthranyl amides and their use as medicaments NOVARTIS AG (CH) 2004-11-11 US claimed
US-20110071165-A1 Aza- and polyazanthranyl amides and their use as medicaments NOVARTIS AG (CH) 2011-03-24 US disclosed
US-20060287339-A1 Aza- and polyazanthranyl amides and their use as medicaments SEIDELMANN DIETER 2006-12-21 US disclosed
US-20040224968-A1 Aza-and polyazanthranyl amides and their use as medicaments NOVARTIS AG (CH) 2004-11-11 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-20060287339-A1 Aza- and polyazanthranyl amides and their use as medicaments VEGFA, AZI2, TPMT KDR 8/4885ALDH1A1 764/4885SMN1; SMN2 4402/4885
US-20040224968-A1 Aza-and polyazanthranyl amides and their use as medicaments AZI2, VEGFA, TPMT KDR 19/4885ALDH1A1 530/4885SMN1; SMN2 4705/4885
US-20110071165-A1 Aza- and polyazanthranyl amides and their use as medicaments VEGFA, AZI2, TPMT KDR 8/4885ALDH1A1 764/4885SMN1; SMN2 4402/4885

“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.