SCHEMBL3634340

SCHEMBL3634340

Nc1cc(N2CCOCC2)cc(N2CCOCC2)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.59
MAPT P10636 3/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
CRHBP P24387 1/20 0.54
CRHR2 Q13324 1/20 0.54
KMT2A Q03164 3/20 0.51
MEN1 O00255 1/20 0.51
POLB P06746 1/20 0.51
HTT P42858 1/20 0.46
PIK3CA P42336 4/20 0.46
MTOR P42345 2/20 0.46
MAP3K12 Q12852 1/20 0.46
NCF1 P14598 1/20 0.45
LGMN Q99538 1/20 0.45
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
ALOX15 P16050 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL29713891 1.00 HRH4 (0.59) HRH4MAPTCYP1A2CYP2D6CRHBP
SCHEMBL14024999 0.84 MAPT (0.56) HRH4MAPTCYP1A2CYP2D6CRHBP
SCHEMBL30717060 0.81 CRHBP (0.61) HRH4MAPTCYP1A2CYP2D6CRHBP
SCHEMBL245771 0.81 MAPT (0.61) MAPTCYP1A2CYP2D6CRHBPCRHR2
SCHEMBL29762483 0.81 MAPT (0.61) MAPTCYP1A2CYP2D6CRHBPCRHR2
SCHEMBL23275214 0.81 MAPT (0.53) MAPTCYP1A2CYP2D6CRHBPCRHR2
SCHEMBL5789968 0.81 CRHBP (0.57) HRH4MAPTCRHBPCRHR2KMT2A
SCHEMBL3286682 0.81 MAPT (0.57) HRH4MAPTCYP1A2CYP2D6CRHBP
SCHEMBL22121021 0.81 CRHBP (0.61) HRH4MAPTCYP1A2CYP2D6CRHBP
SCHEMBL29762489 0.81 MAPT (0.53) MAPTCYP1A2CYP2D6CRHBPCRHR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114835683-A Quinazoline-4, 6-diamine compound containing morpholinyl aromatic heterocycle and preparation method thereof 江苏食品药品职业技术学院 2022-08-02 CN 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
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 HRH4 535/4885MAPT 3461/4885CYP1A2 1950/4885

“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.