SCHEMBL978877

SCHEMBL978877

Nc1cc(CO)cc(N2CCOCC2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 6/20 0.46
MTOR P42345 5/20 0.46
AKT1 P31749 4/20 0.46
AGXT P21549 1/20 0.44
LGMN Q99538 2/20 0.42
KDM4E B2RXH2 3/20 0.40
PIK3CB P42338 1/20 0.39
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 2/20 0.39
ALOX15 P16050 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
TP53 P04637 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL16807343 0.84 ALDH1A1 (0.41) PIK3CAMTORAKT1AGXTKDM4E
SCHEMBL5130191 0.82 NCF1 (0.46) PIK3CAAGXTLGMNMAPTSMN1; SMN2
SCHEMBL1172028 0.82 LGMN (0.53) PIK3CAMTORAGXTLGMNKDM4E
SCHEMBL2712064 0.82 LGMN (0.53) PIK3CAMTORAGXTLGMNKDM4E
SCHEMBL12865160 0.80 LMNA (0.53) PIK3CAMTORAKT1AGXTKDM4E
SCHEMBL1662765 0.80 GPR183 (0.45) PIK3CAMTORAKT1AGXTKDM4E
SCHEMBL4436536 0.80 AGXT (0.48) PIK3CAMTORAKT1AGXTLGMN
SCHEMBL5129937 0.80 HRH3 (0.46) PIK3CAAGXTLGMNMAPTALDH1A1
SCHEMBL7537112 0.78 CHKA (0.49) PIK3CAMTORAKT1LGMNKDM4E
SCHEMBL5129082 0.77 ALDH1A1 (0.43) PIK3CAMTORAKT1AGXTKDM4E

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
US-8609836-B2 4-aryl-2-anilino-pyrimidines JANSSEN PHARMACEUTICA NV (BE) 2013-12-17 US disclosed
EP-2283024-B1 4-ARYL-2-ANILINO-PYRIMIDINES AS PLK KINASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2013-05-15 EP disclosed
US-20130053379-A1 4-ARYL-2-ANILINO-PYRIMIDINES JANSSEN PHARMACEUTICA NV (BE) 2013-02-28 US disclosed
US-8318929-B2 4-aryl-2-anilino-pyrimidines JANSSEN PHARMACEUTICA NV (BE) 2012-11-27 US disclosed
US-20110046108-A1 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2011-02-24 US disclosed
US-20110046108-A1 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2011-02-24 US disclosed
US-20110046108-A1 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2011-02-24 US disclosed
EP-2283024-A1 4-ARYL-2-ANILINO-PYRIMIDINES AS PLK KINASE INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2011-02-16 EP disclosed
US-20110009404-A1 4-ARYL-2-ANILINO-PYRIMIDINES JANSSEN PHARMACEUTICA NV (BE) 2011-01-13 US disclosed
WO-2009112439-A1 4-ARYL-2-ANILINO-PYRIMIDINES AS PLK KINASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2009-09-17 WO disclosed
EP-1981856-A2 PYRIMIDINE DERIVATIVES AstraZeneca AB (SE) 2008-10-22 EP disclosed
US-20080242663-A1 NOVEL PYRIMIDINE DERIVATIVES 698 ASTRAZENECA AB (SE) 2008-10-02 US disclosed
US-20080242663-A1 NOVEL PYRIMIDINE DERIVATIVES 698 ASTRAZENECA AB (SE) 2008-10-02 US disclosed
US-20080242663-A1 NOVEL PYRIMIDINE DERIVATIVES 698 ASTRAZENECA AB (SE) 2008-10-02 US disclosed
WO-2008104754-A1 NOVEL PYRIMIDINE DERIVATIVES 698 ASTRAZENECA AB (SE) 2008-09-04 WO disclosed
WO-2007085833-A2 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2007-08-02 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-20080242663-A1 NOVEL PYRIMIDINE DERIVATIVES 698 EPHB4, EPHB1, NME2 PIK3CA 203/4885MTOR 1171/4885AKT1 496/4885
US-20130053379-A1 4-ARYL-2-ANILINO-PYRIMIDINES PLK4, PLK3, PLK2 PIK3CA 53/4885MTOR 1341/4885AKT1 439/4885
US-20110046108-A1 PYRIMIDINE DERIVATIVES EPHB4, EPHB1, EPHB3 PIK3CA 176/4885MTOR 1307/4885AKT1 220/4885
US-20110009404-A1 4-ARYL-2-ANILINO-PYRIMIDINES PLK4, PLK3, PLK2 PIK3CA 53/4885MTOR 1341/4885AKT1 439/4885

“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.