SCHEMBL19780465

SCHEMBL19780465

CN(C)c1ccc(-c2cncc3sc(C(N)=O)cc23)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 10/20 0.71
GSK3A P49840 10/20 0.71
CDK5 Q00535 9/20 0.71
GSK3B P49841 9/20 0.71
CDK2 P24941 9/20 0.71
DYRK1A Q13627 9/20 0.71
KDR P35968 8/20 0.71
LIMK1 P53667 8/20 0.71
CHEK2 O96017 8/20 0.71
MAPK9 P45984 8/20 0.71
CSNK1D P48730 8/20 0.71
CDK1 P06493 8/20 0.71
RPS6KA3 P51812 7/20 0.71
DAPK3 O43293 7/20 0.71
PRKACA P17612 7/20 0.71
AURKB Q96GD4 7/20 0.71
PLK4 O00444 7/20 0.71
SGK2 Q9HBY8 7/20 0.71
CSNK2A1 P68400 6/20 0.71
ROCK1 Q13464 6/20 0.71

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
SCHEMBL19769169 0.89 GSK3A (0.56) PIM1GSK3ACDK5GSK3BCDK2
SCHEMBL5555786 0.84 PIM1 (0.78) PIM1GSK3ACDK5GSK3BCDK2
SCHEMBL7055360 0.83 PIM1 (0.76) PIM1GSK3ACDK5GSK3BCDK2
SCHEMBL7055380 0.83 PIM1 (1.00) PIM1GSK3ACDK5GSK3BCDK2
SCHEMBL7050653 0.83 GSK3A (1.00) PIM1GSK3ACDK5GSK3BCDK2
SCHEMBL7056743 0.83 GSK3A (1.00) PIM1GSK3ACDK5GSK3BCDK2
SCHEMBL19769135 0.82 PIM1 (0.71) PIM1GSK3ACDK5GSK3BCDK2
SCHEMBL5550778 0.82 PIM1 (0.78) PIM1GSK3ACDK5GSK3BCDK2
SCHEMBL5950999 0.80 MAP3K8 (0.68) PIM1GSK3ACDK5GSK3BCDK2
SCHEMBL7057944 0.80 PIM1 (0.80) PIM1GSK3ACDK5GSK3BCDK2

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.