SCHEMBL1675720

SCHEMBL1675720

CN1C(=O)C(C)(F)CN(c2ccccc2)c2nc(Cl)ncc21

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.40
PIN1 Q13526 1/20 0.33
BACE1 P56817 3/20 0.32
BACE2 Q9Y5Z0 3/20 0.32
CTSD P07339 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MARK3 P27448 2/20 0.32
PLK2 Q9NYY3 2/20 0.32
PLK1 P53350 1/20 0.32
REN P00797 1/20 0.31
APP P05067 1/20 0.31
GRM5 P41594 2/20 0.31
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 1/20 0.30
RAB9A P51151 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
SCHEMBL1559401 0.90 MAPT (0.41) MAPTPIN1BACE1BACE2CTSD
SCHEMBL4106908 0.88 SMN1; SMN2 (0.40) MAPTPIN1SMN1; SMN2MARK3PLK2
SCHEMBL4107807 0.84 MAPT (0.36) MAPTPIN1BACE1SMN1; SMN2MARK3
SCHEMBL1675821 0.79 MAPT (0.41) MAPTPIN1SMN1; SMN2MARK3GRM5
SCHEMBL1560985 0.78 MAPT (0.39) MAPTPIN1BACE1BACE2MARK3
SCHEMBL1202898 0.76 MAPT (0.43) MAPTPIN1SMN1; SMN2PLK1RAB9A
SCHEMBL25034678 0.75 PLK1 (0.44) SMN1; SMN2MARK3PLK2PLK1
SCHEMBL1675801 0.75 PLK1 (0.44) SMN1; SMN2MARK3PLK2PLK1
SCHEMBL4079498 0.74 MAPT (0.39) MAPTPIN1SMN1; SMN2PLK2PLK1
SCHEMBL13814857 0.74 MAPT (0.43) MAPTPIN1SMN1; SMN2HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2564850-B1 Polo-like kinase inhibitors TAKEDA PHARMACEUTICAL (JP) 2014-08-13 EP disclosed
EP-2564850-A1 Polo-like kinase inhibitors Takeda Pharmaceutical Company Limited (JP) 2013-03-06 EP disclosed
US-8318727-B2 Polo-like kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-27 US disclosed
US-8026234-B2 Polo-like kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-09-27 US disclosed
US-20110201818-A1 POLO-LIKE KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-08-18 US disclosed
US-20110082111-A1 POLO-LIKE KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-04-07 US disclosed
EP-2205241-A1 POLO-LIKE KINASE INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2010-07-14 EP disclosed
US-20090281092-A1 POLO-LIKE KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-12 US disclosed
WO-2009042711-A1 POLO-LIKE KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-02 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 (3 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-20090281092-A1 POLO-LIKE KINASE INHIBITORS PLK1, PLK2, POLK MAPT 1318/4885PIN1 2805/4885BACE1 3272/4885
US-20110201818-A1 POLO-LIKE KINASE INHIBITORS PLK1, PLK2, POLK MAPT 1318/4885PIN1 2805/4885BACE1 3272/4885
US-20110082111-A1 POLO-LIKE KINASE INHIBITORS PLK1, PLK2, POLK MAPT 1318/4885PIN1 2805/4885BACE1 3272/4885

“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.