SCHEMBL1612467

SCHEMBL1612467

CC1CNC(=O)c2c(N)cccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 4/20 0.37
HTR2C P28335 4/20 0.37
HTR2A P28223 3/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
PARP1 P09874 1/20 0.36
CDC7 O00311 2/20 0.34
TYMS P04818 1/20 0.34
HTR3E A5X5Y0 1/20 0.34
HTR3B O95264 1/20 0.34
HTR3A P46098 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
HTR3D Q70Z44 1/20 0.34
HTR3C Q8WXA8 1/20 0.34
LRRK2 Q5S007 2/20 0.33
MKNK1 Q9BUB5 1/20 0.33
PTPRC P08575 1/20 0.33
TOP2A P11388 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33

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
SCHEMBL12714970 0.85 HTR2C (0.51) HTR2BHTR2CHTR2ACA1CA2
SCHEMBL12714442 0.80 CDC7 (0.38) HTR2BHTR2CHTR2APARP1CDC7
SCHEMBL12714643 0.74 HTR2A (0.40) HTR2BHTR2CHTR2AMKNK1PTPRC
SCHEMBL12714836 0.74 NOS3 (0.43) HTR2BHTR2CHTR2ATYMSTMEM97
SCHEMBL4914480 0.73 PARP1 (0.46) PARP1CDC7
SCHEMBL12714434 0.73 LRRK2 (0.41) PARP1LRRK2
SCHEMBL31313148 0.73 ALDH1A1 (0.40) HTR2BHTR2CHTR2APDE4B
SCHEMBL15830758 0.72 HTR2C (0.54) HTR2BHTR2CHTR2ACA1CA2
SCHEMBL12714433 0.72 CDC7 (0.42) PARP1CDC7
SCHEMBL12220005 0.72 PARP3 (0.53) HTR2BHTR2CHTR2APARP1CDC7

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 HTR2B 3945/4885HTR2C 3994/4885HTR2A 3341/4885
US-20110086842-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP HTR2B 3945/4885HTR2C 3994/4885HTR2A 3341/4885
US-20090149438-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP HTR2B 3945/4885HTR2C 3994/4885HTR2A 3341/4885
US-20060148800-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP HTR2B 3945/4885HTR2C 3994/4885HTR2A 3341/4885

“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.