SCHEMBL3093023

SCHEMBL3093023

NC(=O)c1c[nH]c2ccc(N3CCOCC3)cc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 7/20 0.52
JAK1 P23458 3/20 0.52
TYK2 P29597 3/20 0.52
JAK3 P52333 3/20 0.52
GAA P10253 1/20 0.50
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
MAP2 P11137 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 5/20 0.47
ATM Q13315 1/20 0.47
PRKDC P78527 1/20 0.46
MAPT P10636 1/20 0.46
KDM4E B2RXH2 2/20 0.45
LMNA P02545 1/20 0.45
LRRK2 Q5S007 1/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL7740284 0.91 JAK2 (0.49) JAK2JAK1TYK2JAK3GAA
SCHEMBL4351617 0.77 PRKDC (0.59) JAK2JAK1TYK2JAK3ALDH1A1
SCHEMBL5204359 0.76 SLC6A4 (0.63) SLC6A4SLC6A3
SCHEMBL30689022 0.76 ALDH1A1 (0.62) JAK1JAK3L3MBTL1ALDH1A1PRKDC
SCHEMBL9051473 0.75 HPGD (0.52) JAK2JAK1TYK2JAK3GAA
SCHEMBL20935019 0.75 HPGD (0.56) GAASMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL18029007 0.75 KMT2A (0.60) GAASLC6A4ALDH1A1MAPTKDM4E
SCHEMBL19871235 0.75 KMT2A (0.60) GAASLC6A4ALDH1A1MAPTKDM4E
SCHEMBL13818340 0.75 PRKDC (0.56) JAK2JAK1TYK2JAK3PRKDC
SCHEMBL144733 0.75 LGMN (0.59) JAK2JAK1TYK2JAK3PRKDC

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-20100227858-A1 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES ASTRAZENECA AB (SE) 2010-09-09 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-20100227858-A1 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES MTOR, PIK3CA, PIK3CD JAK2 104/4885JAK1 125/4885TYK2 1250/4885

“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.