SCHEMBL4422728

SCHEMBL4422728

Nc1ccc(C(=O)c2ccco2)c(N)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.51
KMT2A Q03164 6/20 0.51
MEN1 O00255 4/20 0.51
TDP1 Q9NUW8 2/20 0.51
POLB P06746 1/20 0.51
THRB P10828 1/20 0.51
APEX1 P27695 1/20 0.51
RECQL P46063 1/20 0.51
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
PIM1 P11309 1/20 0.43
MAPT P10636 4/20 0.42
PTPN1 P18031 1/20 0.41
KDM4E B2RXH2 5/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 1/20 0.40
PKM P14618 1/20 0.40
LMNA P02545 2/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL8179588 0.77 NAPRT (0.54) ALDH1A1KMT2AMEN1TDP1POLB
SCHEMBL5811173 0.73 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1TDP1POLB
SCHEMBL31061107 0.73 MAPT (0.53) ALDH1A1KMT2AMEN1POLBMAPT
SCHEMBL4419093 0.73 MAPT (0.53) ALDH1A1KMT2AMEN1POLBMAPT
SCHEMBL27553288 0.73 ALDH1A1 (0.58) ALDH1A1KMT2AMEN1TDP1POLB
SCHEMBL181841 0.72 ALDH1A1 (0.74) ALDH1A1KMT2AMEN1TDP1POLB
SCHEMBL4414573 0.71 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1POLBCES2
SCHEMBL8305811 0.70 GFER (0.61) ALDH1A1KMT2AMEN1TDP1POLB
SCHEMBL920297 0.69 GABRP (0.64) ALDH1A1KMT2AMEN1TDP1POLB
SCHEMBL1733340 0.69 IKBKB (0.48) ALDH1A1KMT2AMEN1TDP1MAPT

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
EP-1689394-A4 AMINO SUBSTITUTED PYRIDINYL METHANONE COMPOUNDS USEFUL IN TREATING KINASE DISORDERS JANSSEN PHARMACEUTICA NV (BE) 2009-06-03 EP disclosed
US-7109220-B2 Amino substituted pyridinyl methanone compounds useful in treating kinase disorders JANSSEN PHARMACEUTICA N.V. (BE) 2006-09-19 US disclosed
EP-1689394-A1 AMINO SUBSTITUTED PYRIDINYL METHANONE COMPOUNDS USEFUL IN TREATING KINASE DISORDERS JANSSEN PHARMACEUTICA N.V. (BE) 2006-08-16 EP disclosed
WO-2005051387-A1 AMINO SUBSTITUTED PYRIDINYL METHANONE COMPOUNDS USEFUL IN TREATING KINASE DISORDERS JANSSEN PHARMACEUTICA N.V. (BE) 2005-06-09 WO disclosed
US-20050124610-A1 Amino substituted pyridinyl methanone compounds useful in treating kinase disorders JANSSEN PHARMACEUTICA N. V. (BE) 2005-06-09 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 (1 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-20050124610-A1 Amino substituted pyridinyl methanone compounds useful in treating kinase disorders CDK6, CDK1, CDK3 ALDH1A1 2979/4885KMT2A 640/4885MEN1 1273/4885

“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.