SCHEMBL5558735

SCHEMBL5558735

N#Cc1ccc(C(=O)c2ccccc2N)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.65
GAA P10253 1/20 0.65
CA1 P00915 3/20 0.53
CA2 P00918 3/20 0.53
CA9 Q16790 1/20 0.53
MAPK14 Q16539 3/20 0.46
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
PARP15 Q460N3 1/20 0.44
PARP10 Q53GL7 1/20 0.44
PARP2 Q9UGN5 1/20 0.44
POLB P06746 1/20 0.44
GSK3B P49841 2/20 0.43
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
MAPK13 O15264 2/20 0.42
MAPK12 P53778 2/20 0.42
MAPK11 Q15759 2/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL8374908 0.85 MAPT (0.87) MAPTGAACA1CA2CA9
SCHEMBL11060732 0.83 PARP2 (0.51) MAPTGAACA1CA2MAPK14
SCHEMBL4852724 0.81 MAPT (0.58) MAPTGAACYP11B1CYP11B2POLB
Acetonitrile SCHEMBL11884097 0.81 MAPT (0.79) MAPTGAACA1CA2CA9
SCHEMBL9575745 0.81 LIG1 (0.65) MAPTGAACA1CA2CA9
SCHEMBL3138398 0.80 MAPT (0.77) MAPTGAACA1CA2CA9
SCHEMBL3178977 0.80 MAPT (0.77) MAPTGAACA1CA2CA9
SCHEMBL29364222 0.80 MAPT (0.77) MAPTGAACA1CA2CA9
Nitrogen SCHEMBL28332724 0.80 MAPT (0.92) MAPTGAACA1CA2CA9
SCHEMBL14454220 0.79 MAPK13 (0.49) CA1CA2MAPK14CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1751118-B1 PYRIMIDINES FOR USE AS PLK INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2014-12-03 EP disclosed
US-7241769-B2 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-07-10 US disclosed
US-7241769-B2 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-07-10 US disclosed
US-7241769-B2 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-07-10 US disclosed
EP-1751118-A1 PYRIMIDINES FOR USE AS PLK INHIBITORS Boehringer Ingelheim International GmbH (DE) 2007-02-14 EP disclosed
WO-2005113515-A1 PYRIMIDINES FOR USE AS PLK INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-12-01 WO disclosed
US-20050261295-A1 2-Anilino-4-amino-, -oxy- or -thio-substituted, e.g., 2-(2-methoxy-4-N-propylcarbamoyl-phenylamino)-4-(2-carboxy-3-fluoro-phenylamino)-5-trifluoromethyl-pyrimidine; and 3-anilino--5-amino-, -oxy- or -thio-substituted 1,2,4-triazines; antiproliferative agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-24 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-20050261295-A1 2-Anilino-4-amino-, -oxy- or -thio-substituted, e.g., 2-(2-methoxy-4-N-propylcarbamoyl-phenylamino)-4-(2-carboxy-3-fluoro-phenylamino)-5-trifluoromethyl-pyrimidine; and 3-anilino--5-amino-, -oxy- or -thio-substituted 1,2,4-triazines; antiproliferative agents MKI67, CCNY, CCNO MAPT 3838/4885GAA 2463/4885CA1 3725/4885

“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.