SCHEMBL2019251

SCHEMBL2019251

FC1CCN(c2ncnc3[nH]ccc23)CC1

nearest known ligand 0.83

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 4/20 0.83
GSK3B P49841 3/20 0.83
KIT P10721 1/20 0.83
LCK P06239 1/20 0.76
JAK3 P52333 10/20 0.72
HTR2C P28335 1/20 0.68
DOT1L Q8TEK3 2/20 0.63
JAK2 O60674 2/20 0.58
JAK1 P23458 1/20 0.56
RPS6KB1 P23443 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
SCHEMBL1003408 0.91 AKT2 (1.00) AKT2GSK3BKITLCKJAK3
SCHEMBL2022699 0.88 AKT2 (0.78) AKT2GSK3BKITLCKJAK3
SCHEMBL3952655 0.87 AKT2 (0.72) AKT2GSK3BKITLCKJAK3
SCHEMBL2019457 0.87 LCK (1.00) AKT2GSK3BKITLCKJAK3
SCHEMBL4125661 0.85 AKT2 (1.00) AKT2GSK3BKITLCKJAK3
SCHEMBL16142400 0.85 AKT2 (0.74) AKT2GSK3BKITLCKJAK3
SCHEMBL15178732 0.85 DOT1L (0.85) AKT2GSK3BKITLCKJAK3
SCHEMBL10074309 0.85 DOT1L (0.85) AKT2GSK3BKITLCKJAK3
Hydrochloric Acid SCHEMBL15170166 0.84 DOT1L (0.82) AKT2GSK3BKITLCKJAK3
Hydrochloric Acid SCHEMBL15169727 0.84 DOT1L (0.82) AKT2GSK3BKITLCKJAK3

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 AKT2 1555/4885GSK3B 1050/4885KIT 449/4885
US-20100113420-A1 PYRROLOPYRIMIDINE DERIVATIVES AS JAK3 INHIBITORS JAK3, JAK2, JAK1 AKT2 1555/4885GSK3B 1050/4885KIT 449/4885

“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.