SCHEMBL19472829

SCHEMBL19472829

C/C=N/NC(=O)Nc1cccc2nsnc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.69
MEN1 O00255 5/20 0.69
KMT2A Q03164 5/20 0.69
POLB P06746 2/20 0.69
HPGD P15428 10/20 0.67
CDC7 O00311 1/20 0.65
PLK4 O00444 1/20 0.65
DAPK3 O43293 1/20 0.65
DYRK3 O43781 1/20 0.65
ROCK2 O75116 1/20 0.65
PRKD3 O94806 1/20 0.65
MAP4K4 O95819 1/20 0.65
ABL1 P00519 1/20 0.65
PRKCG P05129 1/20 0.65
INSR P06213 1/20 0.65
FYN P06241 1/20 0.65
RET P07949 1/20 0.65
IGF1R P08069 1/20 0.65
ROS1 P08922 1/20 0.65
PIM1 P11309 1/20 0.65

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
SCHEMBL19472596 0.84 MAPT (0.83) MAPTMEN1KMT2APOLBHPGD
SCHEMBL19472721 0.83 MAPT (0.81) MAPTMEN1KMT2APOLBHPGD
SCHEMBL19472582 0.82 MAPT (0.79) MAPTMEN1KMT2APOLBHPGD
SCHEMBL19472586 0.82 MAPT (1.00) MAPTMEN1KMT2APOLBHPGD
SCHEMBL19478603 0.81 MAPT (0.81) MAPTMEN1KMT2APOLBHPGD
SCHEMBL19478508 0.81 MAPT (0.81) MAPTMEN1KMT2APOLBHPGD
SCHEMBL19472580 0.81 CDC7 (0.80) MAPTMEN1KMT2APOLBHPGD
SCHEMBL19472585 0.81 HPGD (1.00) MAPTMEN1KMT2APOLBHPGD
SCHEMBL19472806 0.81 CDC7 (0.69) MAPTMEN1KMT2APOLBHPGD
SCHEMBL19472804 0.81 MAPT (0.73) MAPTMEN1KMT2APOLBHPGD

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-20170298056-A1 SMALL MOLECULE INHIBITORS OF HIV-1 ENTRY AND METHODS OF USE THEREOF THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2017-10-19 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-20170298056-A1 SMALL MOLECULE INHIBITORS OF HIV-1 ENTRY AND METHODS OF USE THEREOF CD4, CCR5, CCR1 MAPT 3451/4885MEN1 4090/4885KMT2A 4616/4885

“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.