SCHEMBL3699111

SCHEMBL3699111

CO[C@@H]1[C@H](O)[C@@H](COC2CCCCC2)O[C@H]1n1cnc2c(N)ncnc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
ADORA3 P0DMS8 3/20 0.56
EHMT1 Q9H9B1 2/20 0.54
EHMT2 Q96KQ7 1/20 0.54
ADORA1 P30542 2/20 0.54
DNPH1 O43598 1/20 0.53
PRKAB2 O43741 1/20 0.53
TRPM2 O94759 1/20 0.53
LDHA P00338 1/20 0.53
ADRB2 P07550 1/20 0.53
FBP1 P09467 1/20 0.53
SRC P12931 1/20 0.53
P2RY2 P41231 1/20 0.53
P2RY1 P47900 1/20 0.53
PRKAG1 P54619 1/20 0.53
PRKAA2 P54646 1/20 0.53
PDE4D Q08499 1/20 0.53
KCNH2 Q12809 1/20 0.53
PRKAA1 Q13131 1/20 0.53

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
SCHEMBL7909170 0.99 MEN1 (0.57) MEN1KMT2AADORA3EHMT1ADORA1
SCHEMBL120562 0.89 ADORA3 (0.68) MEN1KMT2AADORA3EHMT1EHMT2
SCHEMBL120551 0.88 ADORA3 (0.69) MEN1KMT2AADORA3EHMT1EHMT2
SCHEMBL7896942 0.86 ADORA1 (0.55) MEN1KMT2AADORA3ADORA1DNPH1
SCHEMBL8626012 0.86 ADORA3 (0.64) MEN1KMT2AADORA3ADORA1DNPH1
SCHEMBL12376383 0.86 ADORA3 (0.64) MEN1KMT2AADORA3ADORA1DNPH1
SCHEMBL12360837 0.86 ADORA3 (0.64) MEN1KMT2AADORA3ADORA1DNPH1
SCHEMBL21999233 0.86 ADORA3 (0.64) MEN1KMT2AADORA3ADORA1DNPH1
SCHEMBL6223541 0.85 ADORA3 (0.63) MEN1KMT2AADORA3EHMT1ADORA1
SCHEMBL7902992 0.85 ADORA1 (0.51) MEN1KMT2AADORA3ADORA1DNPH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100009934-A1 BETA ADRENERGIC RECEPTOR AGONISTS FOR THE TREATMENT OF B-CELL PROLIFERATIVE DISORDERS COMBINATORX, INCORPORATED (US) 2010-01-14 US disclosed
US-20090053168-A1 TREATMENTS OF B-CELL PROLIFERATIVE DISORDERS ZALICUS INC. 2009-02-26 US disclosed
US-20090047243-A1 COMBINATIONS FOR THE TREATMENT OF B-CELL PROLIFERATIVE DISORDERS ZALICUS INC. 2009-02-19 US disclosed
US-RE37077-E1 Adenosine derivatives and pharmaceutical composition thereof NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2001-02-27 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 (3 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-20090047243-A1 COMBINATIONS FOR THE TREATMENT OF B-CELL PROLIFERATIVE DISORDERS ADORA2A, PDE4A, PDE4D MEN1 1161/4885KMT2A 485/4885ADORA3 27/4885
US-20100009934-A1 BETA ADRENERGIC RECEPTOR AGONISTS FOR THE TREATMENT OF B-CELL PROLIFERATIVE DISORDERS ADRB1, ADRB2, ADRA2B MEN1 2943/4885KMT2A 2159/4885ADORA3 22/4885
US-20090053168-A1 TREATMENTS OF B-CELL PROLIFERATIVE DISORDERS BCL6, BCL6B, BCL3 MEN1 3082/4885KMT2A 1193/4885ADORA3 101/4885

“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.