SCHEMBL1688396

SCHEMBL1688396

CCC12COCCN1c1nc(CC(=O)c3ccc(F)cc3F)ncc1-n1cnnc12

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.32
ACKR3 P25106 2/20 0.32
ENPP2 Q13822 1/20 0.31
HDAC3 O15379 1/20 0.30
HDAC2 Q92769 1/20 0.30

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
SCHEMBL1688395 0.88 GRM5 (0.32) GRM5ACKR3HDAC3HDAC2
SCHEMBL1288653 0.88 GRM5 (0.34) GRM5
SCHEMBL2344690 0.85 ACKR3 (0.36) ACKR3
SCHEMBL2689944 0.85 BCHE (0.33)
SCHEMBL1288777 0.81
SCHEMBL2687990 0.77 PLK1 (0.44)
SCHEMBL1288612 0.76 GRM5 (0.34) GRM5
SCHEMBL2688802 0.76 PLK2 (0.36)
SCHEMBL2691046 0.76 PLK2 (0.36)
SCHEMBL1688691 0.75 MAPK14 (0.32)

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
WO-2012048129-A2 INHIBITORS OF POLO-LIKE KINASE ELAN PHARMACEUTICALS, INC. (US) 2012-04-12 WO 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 GRM5 3856/4885ACKR3 3047/4885ENPP2 3141/4885

“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.