SCHEMBL3287154

SCHEMBL3287154

Nc1cc(N2CCOCC2)nc(N2CCOCC2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.61
CYP1A2 P05177 1/20 0.61
CYP2D6 P10635 1/20 0.61
CRHBP P24387 1/20 0.61
CRHR2 Q13324 1/20 0.61
KMT2A Q03164 3/20 0.57
MEN1 O00255 1/20 0.57
POLB P06746 1/20 0.57
HTT P42858 1/20 0.51
PIK3CA P42336 4/20 0.50
MAP3K12 Q12852 1/20 0.50
PIK3CB P42338 1/20 0.49
NPSR1 Q6W5P4 2/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MTOR P42345 2/20 0.47
GAA P10253 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HRH4 Q9H3N8 1/20 0.46

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
SCHEMBL6258232 0.94 CRHBP (0.56) MAPTCYP1A2CYP2D6CRHBPCRHR2
SCHEMBL14024999 0.90 MAPT (0.56) MAPTCYP1A2CYP2D6CRHBPCRHR2
SCHEMBL3634900 0.89 HRH4 (0.61) MAPTCYP1A2CYP2D6CRHBPCRHR2
SCHEMBL908493 0.87 MAPT (0.71) MAPTCYP1A2CYP2D6CRHBPCRHR2
SCHEMBL3637243 0.87 CYP1A2 (0.49) MAPTCYP1A2CYP2D6CRHBPCRHR2
SCHEMBL15938813 0.84 CYP2C19 (0.56) MAPTCYP1A2CYP2D6CRHBPCRHR2
SCHEMBL3293436 0.83 CRHBP (0.77) MAPTCYP1A2CYP2D6CRHBPCRHR2
SCHEMBL18284900 0.83 CYP1A2 (0.46) MAPTCYP1A2CYP2D6CRHBPCRHR2
SCHEMBL3353780 0.81 NPSR1 (0.69) MAPTPOLBHTTPIK3CAPIK3CB
SCHEMBL13779832 0.80 HRH4 (0.57) MAPTCYP1A2CRHBPCRHR2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101796046-A Pyrimidine derivatives 934 ASTRAZENECA AB 2010-08-04 CN disclosed
US-7718653-B2 Pyrimidine derivatives for inhibiting Eph receptors ASTRAZENECA AB (SE) 2010-05-18 US disclosed
EP-2183242-A2 PYRIMIDINE DERIVATIVES 934 AstraZeneca AB (SE) 2010-05-12 EP disclosed
EP-2150545-A1 N' - (PHENYL) -N- (MORPHOLIN-4-YL-PYRIDIN-2-YL) -PYRIMIDINE-2, 4-DIAMINE DERIVATIVES AS EPHB4 KINASE INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE CONDITIONS AstraZeneca AB (SE) 2010-02-10 EP disclosed
US-20090036440-A1 NOVEL PYRIMIDINE DERIVATIVES - 816 ASTRAZENECA AB (SE) 2009-02-05 US disclosed
US-20090036440-A1 NOVEL PYRIMIDINE DERIVATIVES - 816 ASTRAZENECA AB (SE) 2009-02-05 US disclosed
US-20090036440-A1 NOVEL PYRIMIDINE DERIVATIVES - 816 ASTRAZENECA AB (SE) 2009-02-05 US disclosed
US-20090023719-A1 PYRIMIDINE DERIVATIVES 934 ASTRAZENECA AB (SE) 2009-01-22 US disclosed
WO-2009010789-A2 PYRIMIDINE DERIVATIVES 934 ASTRAZENECA AB (SE) 2009-01-22 WO disclosed
WO-2008132505-A1 N' - (PHENYL) -N- (MORPHOLIN-4-YL-PYRIDIN-2-YL) -PYRIMIDINE-2, 4-DIAMINE DERIVATIVES AS EPHB4 KINASE INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE CONDITIONS ASTRAZENECA AB (SE) 2008-11-06 WO disclosed
WO-2008132505-A1 N' - (PHENYL) -N- (MORPHOLIN-4-YL-PYRIDIN-2-YL) -PYRIMIDINE-2, 4-DIAMINE DERIVATIVES AS EPHB4 KINASE INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE CONDITIONS ASTRAZENECA AB (SE) 2008-11-06 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 (2 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-20090036440-A1 NOVEL PYRIMIDINE DERIVATIVES - 816 EPHB4, EPHB6, EPHB1 MAPT 3461/4885CYP1A2 1950/4885CYP2D6 509/4885
US-20090023719-A1 PYRIMIDINE DERIVATIVES 934 EPHB4, EPHA2, EPHB1 MAPT 4133/4885CYP1A2 346/4885CYP2D6 271/4885

“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.