SCHEMBL2872042

SCHEMBL2872042

CC1(C)OB(c2cnc(N)nc2)OC1(C)C.O=C(O)OC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 4/20 0.43
KDR P35968 4/20 0.43
DGAT1 O75907 2/20 0.41
F11 P03951 3/20 0.40
F2 P00734 2/20 0.40
PRSS1 P07477 2/20 0.40
PRSS2 P07478 2/20 0.40
PRSS3 P35030 2/20 0.40
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
ROCK2 O75116 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
LPL P06858 1/20 0.36
LIPG Q9Y5X9 1/20 0.36
P4HB P07237 1/20 0.35
FFAR1 O14842 1/20 0.35
CA12 O43570 1/20 0.34
CA3 P07451 1/20 0.34

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
SCHEMBL189971 0.85 LPL (0.41) PDGFRBKDRDGAT1F11CA1
Boric Acid SCHEMBL31176956 0.82 PDGFRB (0.39) PDGFRBKDRDGAT1F11F2
SCHEMBL13674698 0.80 PDGFRB (0.33) PDGFRBKDRDGAT1F11F2
Bicarbonate SCHEMBL2872040 0.75 PDGFRB (0.42) PDGFRBKDRDGAT1F11F2
SCHEMBL2730557 0.72 DGAT1 (0.40) PDGFRBKDRDGAT1F11F2
SCHEMBL17799957 0.72 PDGFRB (0.44) PDGFRBKDRDGAT1F11F2
SCHEMBL15720308 0.72 DGAT1 (0.49) PDGFRBKDRDGAT1CA1CA2
SCHEMBL12537248 0.72 PDGFRB (0.30) PDGFRBKDR
Carbamic Acid SCHEMBL17997310 0.72 PDGFRB (0.45) PDGFRBKDRDGAT1F11F2
Carbamic Acid SCHEMBL3411507 0.71 F11 (0.43) PDGFRBKDRDGAT1F11F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2336132-B1 MORPHOLINOPURINE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2014-01-01 EP disclosed
US-8309546-B2 Morpholinopurine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-11-13 US disclosed
US-20100130492-A1 MORPHOLINOPURINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-05-27 US 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-20100130492-A1 MORPHOLINOPURINE DERIVATIVES MTOR, RICTOR, PIK3R1 PDGFRB 2943/4885KDR 2290/4885DGAT1 4232/4885

“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.