SCHEMBL6740561

SCHEMBL6740561

OCC1CCCN(c2ncnc3[nH]ccc23)C1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DOT1L Q8TEK3 2/20 0.71
JAK3 P52333 7/20 0.70
PRKAB2 O43741 1/20 0.64
PRKAG1 P54619 1/20 0.64
PRKAA2 P54646 1/20 0.64
PRKAA1 Q13131 1/20 0.64
PRKAG3 Q9UGI9 1/20 0.64
PRKAG2 Q9UGJ0 1/20 0.64
PRKAB1 Q9Y478 1/20 0.64
KHK P50053 1/20 0.63
AKT2 P31751 2/20 0.60
GSK3B P49841 2/20 0.60
BTK Q06187 3/20 0.59
KIT P10721 1/20 0.59
HTR2C P28335 1/20 0.58
LCK P06239 1/20 0.57
JAK2 O60674 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
SCHEMBL7850879 0.91 DOT1L (0.60) DOT1LJAK3PRKAB2PRKAG1PRKAA2
SCHEMBL4127724 0.89 DOT1L (0.73) DOT1LJAK3PRKAB2PRKAG1PRKAA2
SCHEMBL2020261 0.85 DOT1L (0.74) DOT1LJAK3PRKAB2PRKAG1PRKAA2
SCHEMBL2019326 0.85 DOT1L (0.74) DOT1LJAK3PRKAB2PRKAG1PRKAA2
SCHEMBL2019327 0.85 DOT1L (0.74) DOT1LJAK3PRKAB2PRKAG1PRKAA2
SCHEMBL3960145 0.84 BTK (0.66) DOT1LJAK3PRKAB2PRKAG1PRKAA2
SCHEMBL3960897 0.84 BTK (0.64) DOT1LJAK3PRKAB2PRKAG1PRKAA2
SCHEMBL1531444 0.83 DOT1L (1.00) DOT1LJAK3PRKAB2PRKAG1PRKAA2
SCHEMBL1531600 0.83 DOT1L (1.00) DOT1LJAK3PRKAB2PRKAG1PRKAA2
SCHEMBL1531446 0.83 DOT1L (1.00) DOT1LJAK3PRKAB2PRKAG1PRKAA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040058922-A1 Pyrrolo[2,3-d]pyrimidine compounds PFIZER INC. 2004-03-25 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-20040058922-A1 Pyrrolo[2,3-d]pyrimidine compounds JAK1, JAK3, JAK2 DOT1L 1902/4885JAK3 2/4885PRKAB2 818/4885

“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.