SCHEMBL4457757

SCHEMBL4457757

NC(=O)c1cccnc1NCc1ccccc1Cl

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 3/20 0.63
RPS6KB1 P23443 3/20 0.63
SMN1; SMN2 Q16637 4/20 0.61
HPGD P15428 3/20 0.57
ALDH1A1 P00352 2/20 0.57
KDM4E B2RXH2 1/20 0.57
HSD17B10 Q99714 1/20 0.57
CD38 P28907 1/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
MAPK8 P45983 3/20 0.49
JAK2 O60674 1/20 0.48
JAK1 P23458 1/20 0.48
JAK3 P52333 1/20 0.48
MAPT P10636 2/20 0.48
HTT P42858 1/20 0.48
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC6 Q9UBN7 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
SCHEMBL26921563 0.82 AURKA (0.55) AURKARPS6KB1SMN1; SMN2HPGDHSD17B10
SCHEMBL2086285 0.81 HTT (0.57) AURKARPS6KB1SMN1; SMN2ALDH1A1MEN1
SCHEMBL20722727 0.80 KDM4E (0.62) AURKARPS6KB1SMN1; SMN2HPGDALDH1A1
SCHEMBL1714828 0.80 NPC1 (0.50) AURKARPS6KB1KDM4EMEN1KMT2A
SCHEMBL22261044 0.79 JAK3 (0.59) AURKARPS6KB1CD38JAK2JAK1
SCHEMBL6225105 0.79 KDM4E (0.54) AURKARPS6KB1SMN1; SMN2HPGDALDH1A1
SCHEMBL5554912 0.79 RPS6KB1 (0.65) AURKARPS6KB1SMN1; SMN2HPGDALDH1A1
SCHEMBL31204891 0.79 RPS6KB1 (0.65) AURKARPS6KB1SMN1; SMN2HPGDALDH1A1
SCHEMBL664846 0.78 AURKA (1.00) AURKARPS6KB1AURKB
SCHEMBL5261234 0.76 KDR (0.62) RPS6KB1HPGDALDH1A1KDM4EHSD17B10

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090291073-A1 Compositions Comprising PKC-theta and Methods for Treating or Controlling Ophthalmic Disorders Using Same BAUSCH & LOMB INCORPORATED 2009-11-26 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-20090291073-A1 Compositions Comprising PKC-theta and Methods for Treating or Controlling Ophthalmic Disorders Using Same PRKCQ, PRKCH, PRKCG AURKA 2518/4885RPS6KB1 721/4885SMN1; SMN2 3351/4885

“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.