SCHEMBL19780458

SCHEMBL19780458

NC(=O)c1cc2c(-c3ccccn3)cncc2s1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 11/20 0.68
GSK3A P49840 11/20 0.68
CDK5 Q00535 10/20 0.68
GSK3B P49841 10/20 0.68
DYRK1A Q13627 10/20 0.68
CDK2 P24941 9/20 0.68
KDR P35968 9/20 0.68
LIMK1 P53667 9/20 0.68
CDK1 P06493 8/20 0.68
DAPK3 O43293 8/20 0.68
PRKACA P17612 8/20 0.68
CHEK2 O96017 8/20 0.68
MAPK9 P45984 8/20 0.68
CSNK1D P48730 8/20 0.68
RPS6KA3 P51812 8/20 0.68
AURKB Q96GD4 8/20 0.68
AURKA O14965 8/20 0.68
PLK4 O00444 7/20 0.68
SGK2 Q9HBY8 7/20 0.68
MAPK8 P45983 7/20 0.68

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
SCHEMBL19769123 0.87 GSK3A (0.53) PIM1GSK3ACDK5GSK3BDYRK1A
SCHEMBL7056743 0.81 GSK3A (1.00) PIM1GSK3ACDK5GSK3BDYRK1A
SCHEMBL19780834 0.79 PIM1 (0.80) PIM1GSK3ACDK5GSK3BDYRK1A
SCHEMBL5553934 0.79 MAP3K8 (0.58) PIM1GSK3ACDK5GSK3BDYRK1A
SCHEMBL19769129 0.77 MAP3K8 (1.00) PIM1GSK3ACDK5GSK3BDYRK1A
SCHEMBL7060049 0.77 ICAM1 (1.00) PIM1GSK3ACDK5GSK3BDYRK1A
SCHEMBL19769174 0.76 PIM1 (0.74) PIM1GSK3ACDK5GSK3BDYRK1A
SCHEMBL19769158 0.76 GSK3A (0.70) PIM1GSK3ACDK5GSK3BDYRK1A
SCHEMBL19769175 0.75 PIM1 (0.65) PIM1GSK3ACDK5GSK3BDYRK1A
SCHEMBL5555786 0.75 PIM1 (0.78) PIM1GSK3ACDK5GSK3BDYRK1A

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-20180015077-A1 COMPOUNDS AND METHODS FOR TREATING HIV INFECTION NAKAMURA, ROBERT 2018-01-18 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-20180015077-A1 COMPOUNDS AND METHODS FOR TREATING HIV INFECTION CD4, CCR5, MMP8 PIM1 1098/4885GSK3A 1892/4885CDK5 1897/4885

“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.