SCHEMBL1531600

SCHEMBL1531600

N[C@H]1CCCN(c2ncnc3[nH]ccc23)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DOT1L Q8TEK3 2/20 1.00
JAK3 P52333 6/20 0.74
AKT2 P31751 2/20 0.71
GSK3B P49841 2/20 0.71
KIT P10721 1/20 0.71
PBK Q96KB5 1/20 0.67
LCK P06239 1/20 0.61
JAK2 O60674 2/20 0.60
AKT1 P31749 1/20 0.58
PRKAB2 O43741 1/20 0.58
PRKAG1 P54619 1/20 0.58
PRKAA2 P54646 1/20 0.58
PRKAA1 Q13131 1/20 0.58
PRKAG3 Q9UGI9 1/20 0.58
PRKAG2 Q9UGJ0 1/20 0.58
PRKAB1 Q9Y478 1/20 0.58
HTR2C P28335 1/20 0.58
BTK Q06187 3/20 0.57

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
SCHEMBL1531444 1.00 DOT1L (1.00) DOT1LJAK3AKT2GSK3BKIT
SCHEMBL1531446 1.00 DOT1L (1.00) DOT1LJAK3AKT2GSK3BKIT
SCHEMBL15178732 0.92 DOT1L (0.85) DOT1LJAK3AKT2GSK3BKIT
SCHEMBL10074309 0.92 DOT1L (0.85) DOT1LJAK3AKT2GSK3BKIT
Hydrochloric Acid SCHEMBL15170166 0.90 DOT1L (0.82) DOT1LJAK3AKT2GSK3BKIT
Hydrochloric Acid SCHEMBL15169727 0.90 DOT1L (0.82) DOT1LJAK3AKT2GSK3BKIT
SCHEMBL12612313 0.86 DOT1L (0.74) DOT1LJAK3AKT2GSK3BKIT
SCHEMBL2019326 0.85 DOT1L (0.74) DOT1LJAK3AKT2GSK3BKIT
SCHEMBL3954391 0.85 JAK3 (1.00) DOT1LJAK3AKT2GSK3BKIT
SCHEMBL20862485 0.85 JAK3 (1.00) DOT1LJAK3AKT2GSK3BKIT

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-9029359-B2 Heteroaryl Btk inhibitors BIOGEN IDEC MA, INC. (US) 2015-05-12 US disclosed
EP-2485589-A1 HETEROARYL BTK INHIBITORS Biogen Idec MA Inc. (US) 2012-08-15 EP disclosed
US-20120157442-A1 HETEROARYL BTK INHIBITORS SUNESIS PHARMACEUTICALS, INC. (US) 2012-06-21 US disclosed
WO-2011029043-A1 HETEROARYL BTK INHIBITORS BIOGEN IDEC MA INC. (US) 2011-03-10 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-20120157442-A1 HETEROARYL BTK INHIBITORS BTK, LYN, SYK DOT1L 1876/4885JAK3 99/4885AKT2 329/4885

“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.