SCHEMBL2018105

SCHEMBL2018105

CC(=O)C1CCCN(c2ncnc3[nH]ccc23)C1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 7/20 0.69
DOT1L Q8TEK3 2/20 0.67
JAK2 O60674 3/20 0.59
JAK1 P23458 1/20 0.59
LCK P06239 1/20 0.57
BTK Q06187 4/20 0.56
PBK Q96KB5 1/20 0.56
KIT P10721 1/20 0.55
AKT2 P31751 1/20 0.55
GSK3B P49841 1/20 0.55
PRKAB2 O43741 1/20 0.55
PRKAG1 P54619 1/20 0.55
PRKAA2 P54646 1/20 0.55
PRKAA1 Q13131 1/20 0.55
PRKAG3 Q9UGI9 1/20 0.55
PRKAG2 Q9UGJ0 1/20 0.55
PRKAB1 Q9Y478 1/20 0.55

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
SCHEMBL3955342 0.89 PBK (0.70) JAK3DOT1LJAK2JAK1LCK
SCHEMBL3953793 0.89 DOT1L (0.68) JAK3DOT1LJAK2JAK1BTK
SCHEMBL3955700 0.85 JAK3 (0.61) JAK3DOT1LJAK2JAK1BTK
Diethylamine SCHEMBL27437004 0.85 JAK3 (0.61) JAK3DOT1LJAK2JAK1BTK
SCHEMBL3953560 0.85 JAK3 (0.61) JAK3DOT1LJAK2JAK1BTK
SCHEMBL28380201 0.82 JAK3 (0.65) JAK3DOT1LJAK2JAK1LCK
Nipecotic Acid SCHEMBL7851570 0.82 DOT1L (0.58) JAK3DOT1LJAK2JAK1BTK
SCHEMBL7851332 0.82 PBK (0.60) JAK3DOT1LJAK2JAK1BTK
SCHEMBL2014412 0.82 PBK (0.47) JAK3DOT1LJAK2BTKPBK
SCHEMBL2019326 0.82 DOT1L (0.74) JAK3DOT1LJAK2JAK1LCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110160185-A9 PYRROLOPYRIMIDINE DERIVATIVES AS JAK3 INHIBITORS PALAU PHARMA, S.A. (ES) 2011-06-30 US disclosed
US-20100113420-A1 PYRROLOPYRIMIDINE DERIVATIVES AS JAK3 INHIBITORS PALAU PHARMA, S.A. (ES) 2010-05-06 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 (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-20110160185-A9 PYRROLOPYRIMIDINE DERIVATIVES AS JAK3 INHIBITORS JAK3, JAK2, JAK1 JAK3 1/4885DOT1L 2111/4885JAK2 2/4885
US-20100113420-A1 PYRROLOPYRIMIDINE DERIVATIVES AS JAK3 INHIBITORS JAK3, JAK2, JAK1 JAK3 1/4885DOT1L 2111/4885JAK2 2/4885

“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.