SCHEMBL3634677

SCHEMBL3634677

COc1ccc(C)c(N(C)c2ccnc(Cl)n2)c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHB4 P54760 5/20 0.51
FGFR1 P11362 3/20 0.51
KDR P35968 2/20 0.51
CRHR1 P34998 4/20 0.38
CCR1 P32246 1/20 0.36
CCR5 P51681 1/20 0.36
CCR8 P51685 1/20 0.36
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
DYRK1A Q13627 2/20 0.34
RAB9A P51151 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
SCHEMBL4433094 0.85 FGFR1 (0.39) EPHB4FGFR1KDRCRHR1CCR1
SCHEMBL27773138 0.83 CRHR1 (0.41) EPHB4FGFR1KDRCRHR1CCR1
SCHEMBL3929419 0.82 FGFR1 (0.36) EPHB4FGFR1KDRCRHR1CCR1
SCHEMBL4432574 0.82 ALDH1A1 (0.43) EPHB4FGFR1KDRCRHR1DYRK1A
SCHEMBL4295173 0.79 KDR (0.48) KDR
SCHEMBL4552874 0.78 HSD17B1 (0.43) EPHB4FGFR1KDRDYRK1ARAB9A
SCHEMBL4431915 0.77 EPHB4 (0.52) EPHB4FGFR1KDR
SCHEMBL4442524 0.76 AURKA (0.40) EPHB4FGFR1KDR
SCHEMBL4442527 0.75 EPHB4 (0.39) EPHB4FGFR1KDR
SCHEMBL3634203 0.73 EPHB4 (0.38) EPHB4FGFR1KDR

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-101668749-A Novel pyrimidine derivatives 698 ASTRAZENECA AB 2010-03-10 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
EP-2132184-A1 NOVEL PYRIMIDINE DERIVATIVES 698 AstraZeneca AB (SE) 2009-12-16 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
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

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-20080242663-A1 NOVEL PYRIMIDINE DERIVATIVES 698 EPHB4, EPHB1, NME2 EPHB4 1/4885FGFR1 661/4885KDR 1003/4885
US-20090036440-A1 NOVEL PYRIMIDINE DERIVATIVES - 816 EPHB4, EPHB6, EPHB1 EPHB4 1/4885FGFR1 700/4885KDR 636/4885

“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.