SCHEMBL2689714

SCHEMBL2689714

Cc1nnc2n1-c1cnc(Cl)nc1N1CCOCC21

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTOR P42345 5/20 0.37
PIK3CA P42336 3/20 0.34
PRKDC P78527 4/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
PIK3CD O00329 1/20 0.32
ATR Q13535 6/20 0.32
ABL1 P00519 1/20 0.32
BCR P11274 1/20 0.32
BRD4 O60885 2/20 0.31
CHEK1 O14757 1/20 0.31
PDCD1 Q15116 1/20 0.31
ATRIP Q8WXE1 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
PIK3R1 P27986 1/20 0.31
RICTOR Q6R327 1/20 0.31
RPTOR Q8N122 1/20 0.31
MAPKAP1 Q9BPZ7 1/20 0.31
MLST8 Q9BVC4 1/20 0.31

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
SCHEMBL2689464 0.82 PDE2A (0.37) PIK3CAPRKDCSMN1; SMN2PIK3CDABL1
SCHEMBL2689918 0.81 PDE2A (0.38) PIK3CASMN1; SMN2ABL1BCRBRD4
SCHEMBL2689540 0.81 PDE2A (0.37) SMN1; SMN2ABL1BCRBRD4
SCHEMBL1288265 0.78 MTOR (0.33) MTORPIK3CAPRKDCSMN1; SMN2PIK3CD
SCHEMBL5943284 0.76 BRD4 (0.32) PRKDCBRD4
SCHEMBL2337312 0.75 PIK3CA (0.41) MTORPIK3CASMN1; SMN2PIK3CDABL1
SCHEMBL10286392 0.73 PLK1 (0.49) MTORPIK3CAATRATRIP
SCHEMBL2071278 0.73 MTOR (0.40) MTORPIK3CAPRKDCPIK3CDPIK3R1
SCHEMBL2688793 0.72 PLK1 (0.42) PRKDCBRD4
SCHEMBL5928761 0.72 PLK1 (0.42) PRKDCBRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120115848-A1 Inhibitors of Polo-Like Kinase ELAN PHARMACEUTICALS, INC. (US) 2012-05-10 US disclosed
US-20120115848-A1 Inhibitors of Polo-Like Kinase ELAN PHARMACEUTICALS, INC. (US) 2012-05-10 US disclosed
US-20120115848-A1 Inhibitors of Polo-Like Kinase ELAN PHARMACEUTICALS, INC. (US) 2012-05-10 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-20120115848-A1 Inhibitors of Polo-Like Kinase PLK1, POLR2E, POLR2H MTOR 594/4885PIK3CA 184/4885PRKDC 71/4885

“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.