SCHEMBL3637243

SCHEMBL3637243

Nc1cc(N2CCOCC2)nc(N2CCC(O)CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
MAPT P10636 1/20 0.49
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
ATR Q13535 1/20 0.46
ATRIP Q8WXE1 1/20 0.46
HTT P42858 1/20 0.42
PIK3CA P42336 7/20 0.42
AKT1 P31749 4/20 0.42
MTOR P42345 4/20 0.42
CDK1 P06493 1/20 0.42
CDK2 P24941 1/20 0.42
SMPD3 Q9NY59 1/20 0.42
MAP3K12 Q12852 1/20 0.42
IKBKB O14920 1/20 0.41
PIK3CB P42338 1/20 0.40

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
SCHEMBL3287154 0.87 MAPT (0.61) CYP1A2CYP2D6MAPTCRHBPCRHR2
SCHEMBL13929506 0.84 KMT2A (0.50) CYP1A2CYP2D6MAPTCRHBPCRHR2
SCHEMBL6258232 0.82 CRHBP (0.56) CYP1A2CYP2D6MAPTCRHBPCRHR2
SCHEMBL4442165 0.81 LGMN (0.42) MAPTPIK3CAAKT1MTORCDK1
SCHEMBL14024999 0.78 MAPT (0.56) CYP1A2CYP2D6MAPTCRHBPCRHR2
SCHEMBL23299956 0.78 KMT2A (0.47) MAPTCRHBPCRHR2KMT2AATR
SCHEMBL23275300 0.78 HTT (0.42) CYP1A2CYP2D6MAPTCRHBPCRHR2
SCHEMBL23876040 0.78 KMT2A (0.47) MAPTCRHBPCRHR2KMT2AATR
SCHEMBL23274730 0.78 HTT (0.42) CYP1A2CYP2D6MAPTCRHBPCRHR2
SCHEMBL23274729 0.78 HTT (0.42) CYP1A2CYP2D6MAPTCRHBPCRHR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (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-20090036440-A1 NOVEL PYRIMIDINE DERIVATIVES - 816 EPHB4, EPHB6, EPHB1 CYP1A2 1950/4885CYP2D6 509/4885MAPT 3461/4885

“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.