SCHEMBL12545895

SCHEMBL12545895

CCc1ccc(COCC(C)C)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
L3MBTL1 Q9Y468 4/20 0.36
KDM4E B2RXH2 3/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
LMNA P02545 2/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 2/20 0.35
MAPT P10636 2/20 0.35
HTT P42858 1/20 0.35
PPARG P37231 2/20 0.34
RXRA P19793 2/20 0.33
CYP3A4 P08684 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GRIN1 Q05586 1/20 0.32

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
SCHEMBL2608894 0.84 HRH3 (0.47) HRH3CYP1A2CYP2D6L3MBTL1KDM4E
SCHEMBL12566580 0.82 HRH3 (0.46) HRH3CYP1A2CYP2D6L3MBTL1KDM4E
SCHEMBL12712474 0.77 HRH3 (0.53) HRH3CYP1A2CYP2D6L3MBTL1KDM4E
SCHEMBL14647730 0.77 HRH3 (0.47) HRH3CYP1A2CYP2D6L3MBTL1KDM4E
SCHEMBL12810601 0.77 HRH3 (0.47) HRH3CYP1A2CYP2D6L3MBTL1KDM4E
SCHEMBL26169754 0.77 HRH3 (0.42) HRH3CYP1A2CYP2D6L3MBTL1KDM4E
SCHEMBL13201476 0.75 HRH3 (0.46) HRH3CYP1A2CYP2D6L3MBTL1KDM4E
SCHEMBL19121404 0.74 MLNR (0.41) HRH3CYP1A2CYP2D6L3MBTL1KDM4E
SCHEMBL30398570 0.73 HRH3 (0.55) HRH3CYP1A2CYP2D6L3MBTL1KDM4E
SCHEMBL487617 0.73 HRH3 (0.55) HRH3CYP1A2CYP2D6L3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8633206-B2 Pyrrolo[2,3-D]pyrimidine compounds PFIZER INC. (US) 2014-01-21 US disclosed
US-20110136765-A1 Pyrrolo[2,3-D]Pyrimidine Compounds PFIZER INC. (US) 2011-06-09 US disclosed
US-20110136765-A1 Pyrrolo[2,3-D]Pyrimidine Compounds PFIZER INC. (US) 2011-06-09 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-20110136765-A1 Pyrrolo[2,3-D]Pyrimidine Compounds JAK3, JAK1, JAK2 HRH3 2464/4885CYP1A2 1425/4885CYP2D6 746/4885

“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.