SCHEMBL1613435

SCHEMBL1613435

CC1(C)CNC(=O)c2c(N)cccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.43
PARP1 P09874 2/20 0.36
CDC7 O00311 2/20 0.35
TYMS P04818 1/20 0.34
JAK2 O60674 2/20 0.33
THRB P10828 2/20 0.33
ADORA2A P29274 2/20 0.33
PTPRC P08575 1/20 0.33
GRK6 P43250 1/20 0.33
MAPKAPK2 P49137 1/20 0.33
MEN1 O00255 1/20 0.33
RGS12 O14924 1/20 0.33
USP2 O75604 1/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
APEX1 P27695 1/20 0.33
CASP1 P29466 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
SCHEMBL12714940 0.85 LCK (0.43) LCKPARP1CDC7JAK2MAPKAPK2
SCHEMBL31313213 0.78 ALDH1A1 (0.44) LCKMAPKAPK2MEN1CYP3A4MAPT
SCHEMBL1612463 0.74 THRB (0.37) PARP1THRBADORA2APTPRCGRK6
SCHEMBL6625665 0.72 PDK2 (0.47) LCKPARP1THRBADORA2APTPRC
SCHEMBL7099797 0.72 CA12 (0.42) LCKPARP1CDC7TYMSTHRB
SCHEMBL29556694 0.72 CA12 (0.42) LCKPARP1CDC7TYMSTHRB
SCHEMBL445602 0.67 CDC7 (0.43) LCKPARP1CDC7PTPRCMAPKAPK2
SCHEMBL31351716 0.67 CDC7 (0.43) PARP1CDC7PTPRCMAPKAPK2MEN1
SCHEMBL31351723 0.67 CDC7 (0.43) PARP1CDC7PTPRCMAPKAPK2MEN1
SCHEMBL1585047 0.66 AURKA (0.59) PARP1ADORA2APTPRCKDRCRBN

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 8 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-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-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 LCK 879/4885PARP1 125/4885CDC7 438/4885
US-20110086842-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP LCK 879/4885PARP1 125/4885CDC7 438/4885
US-20090149438-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP LCK 879/4885PARP1 125/4885CDC7 438/4885
US-20060148800-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP LCK 879/4885PARP1 125/4885CDC7 438/4885

“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.