SCHEMBL3955700

SCHEMBL3955700

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 7/20 0.61
DOT1L Q8TEK3 2/20 0.59
NPSR1 Q6W5P4 3/20 0.58
JAK2 O60674 3/20 0.58
ALDH1A1 P00352 5/20 0.58
MAPK1 P28482 3/20 0.58
KDM4E B2RXH2 3/20 0.58
HSD17B10 Q99714 3/20 0.58
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
CYP1A2 P05177 2/20 0.58
CYP3A4 P08684 2/20 0.58
CYP2C9 P11712 2/20 0.58
CYP2C19 P33261 2/20 0.58
HPGD P15428 2/20 0.58
TP53 P04637 1/20 0.58
TSHR P16473 1/20 0.58
MAPT P10636 3/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
PRKAB2 O43741 1/20 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
SCHEMBL28379407 0.94 JAK2 (0.63) JAK3DOT1LJAK2MAPK1JAK1
SCHEMBL7843256 0.93 JAK3 (0.53) JAK3DOT1LNPSR1JAK2ALDH1A1
SCHEMBL3959235 0.87 LCK (0.61) JAK3JAK2ALDH1A1MAPK1KDM4E
SCHEMBL3959659 0.85 PRKAB2 (0.59) JAK3DOT1LJAK2PRKAB2PRKAG1
SCHEMBL2018105 0.85 JAK3 (0.69) JAK3DOT1LJAK2PRKAB2PRKAG1
SCHEMBL2019864 0.84 ALDH1A1 (0.50) NPSR1ALDH1A1MAPK1KDM4EHSD17B10
SCHEMBL2019866 0.84 ALDH1A1 (0.50) NPSR1ALDH1A1MAPK1KDM4EHSD17B10
SCHEMBL3955342 0.84 PBK (0.70) JAK3DOT1LJAK2BTKJAK1
SCHEMBL3953793 0.84 DOT1L (0.68) JAK3DOT1LJAK2BTKJAK1
SCHEMBL3953560 0.84 JAK3 (0.61) JAK3DOT1LJAK2ALDH1A1PRKAB2

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-7569569-B2 Pyrrolo[2,3-d]pyrimidine compounds PFIZER INC. (US) 2009-08-04 US disclosed
EP-1087971-B1 PYRROLO 2,3-d]PYRIMIDINE COMPOUNDS PFIZER PROD INC (US) 2004-07-07 EP disclosed
US-20040058922-A1 Pyrrolo[2,3-d]pyrimidine compounds PFIZER INC. 2004-03-25 US disclosed
US-6635762-B1 Protein tyrosine kinase or Janus Kinase 3 inhibitors; immunosuppressants PFIZER INC. 2003-10-21 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 JAK3 2/4885DOT1L 1902/4885NPSR1 3025/4885

“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.