SCHEMBL1613385

SCHEMBL1613385

Nc1cccc2c1C(=O)N(CCF)CC2

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.38
PARP2 Q9UGN5 3/20 0.38
ALDH1A1 P00352 2/20 0.38
PARP1 P09874 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
CDK4 P11802 1/20 0.37
ALOX15 P16050 1/20 0.37
CCND1 P24385 1/20 0.37
KMT2A Q03164 1/20 0.37
DRD2 P14416 4/20 0.36
HTR1A P08908 2/20 0.36
DRD3 P35462 8/20 0.36
DRD1 P21728 6/20 0.36
HTR2A P28223 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35

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
SCHEMBL12715956 0.85 ALDH1A1 (0.41) PARP2ALDH1A1PARP1NPC1RAB9A
SCHEMBL29609402 0.85 PARP1 (0.49) CRBNPARP2PARP1
SCHEMBL12714324 0.85 PARP1 (0.49) CRBNPARP2PARP1
SCHEMBL12714327 0.77 PARP1 (0.47) CRBNPARP2PARP1
SCHEMBL1557572 0.76 PARP1 (0.43) CRBNPARP1NPC1RAB9AMEN1
SCHEMBL12714491 0.76 PRMT5 (0.34) PARP2PARP1KMT2AHTR1A
SCHEMBL1611984 0.74 ACHE (0.38) PARP2ALDH1A1PARP1NPC1RAB9A
SCHEMBL12714369 0.74 PARP1 (0.50) CRBNPARP2PARP1
SCHEMBL12714410 0.72 CRBN (0.40) CRBNPARP2PARP1NPC1RAB9A
SCHEMBL12714342 0.72 PARP1 (0.48) CRBNPARP2PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1781640-B1 2,4-DI(AMINOPHENYL)PYRIMIDINE DERIVATIVES AS PLK INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2015-01-07 EP disclosed
US-20110086842-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-14 US disclosed
US-20110086842-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-14 US disclosed
US-20110086842-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-14 US disclosed
US-20090163465-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-25 US disclosed
US-20090163465-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-25 US disclosed
US-20090163465-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-25 US disclosed
US-20090149438-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-11 US disclosed
US-20090149438-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-11 US disclosed
US-20090149438-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-11 US disclosed
US-7521457-B2 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-21 US disclosed
US-7521457-B2 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-21 US disclosed
US-7521457-B2 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-21 US disclosed
EP-1781640-A1 2,4-DI(AMINOPHENYL)PYRIMIDINE DERIVATIVES AS PLK INHIBITORS Boehringer Ingelheim International GmbH (DE) 2007-05-09 EP disclosed
US-20060148800-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-07-06 US disclosed
WO-2006021544-A1 2,4-DI(AMINOPHENYL) PYRIMIDINES AS PLK INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-03-02 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 (4 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-20090163465-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP CRBN 3420/4885PARP2 361/4885ALDH1A1 971/4885
US-20110086842-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP CRBN 3420/4885PARP2 361/4885ALDH1A1 971/4885
US-20090149438-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP CRBN 3420/4885PARP2 361/4885ALDH1A1 971/4885
US-20060148800-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP CRBN 3420/4885PARP2 361/4885ALDH1A1 971/4885

“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.