SCHEMBL2019457

SCHEMBL2019457

CC1CCN(c2ncnc3[nH]ccc23)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 1.00
JAK3 P52333 10/20 0.84
AKT2 P31751 4/20 0.76
GSK3B P49841 3/20 0.76
KIT P10721 1/20 0.76
HTR2C P28335 1/20 0.67
DOT1L Q8TEK3 2/20 0.61
JAK2 O60674 3/20 0.60
JAK1 P23458 1/20 0.58
LMNA P02545 1/20 0.56
HTT P42858 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56

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
SCHEMBL10079358 0.92 JAK3 (1.00) LCKJAK3AKT2GSK3BKIT
SCHEMBL2021330 0.92 JAK3 (1.00) LCKJAK3AKT2GSK3BKIT
SCHEMBL2022699 0.87 AKT2 (0.78) LCKJAK3AKT2GSK3BKIT
SCHEMBL1003408 0.87 AKT2 (1.00) LCKJAK3AKT2GSK3BKIT
SCHEMBL30673936 0.87 AKT2 (1.00) LCKJAK3AKT2GSK3BKIT
SCHEMBL2019251 0.87 AKT2 (0.83) LCKJAK3AKT2GSK3BKIT
SCHEMBL9966955 0.86 LCK (0.75) LCKJAK3AKT2GSK3BKIT
Hydrochloric Acid SCHEMBL29036033 0.85 AKT2 (0.97) LCKJAK3AKT2GSK3BKIT
SCHEMBL2023475 0.85 LCK (0.73) LCKJAK3AKT2GSK3BKIT
SCHEMBL4125661 0.84 AKT2 (1.00) LCKJAK3AKT2GSK3BKIT

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 LCK 206/4885JAK3 1/4885AKT2 1555/4885
US-20100113420-A1 PYRROLOPYRIMIDINE DERIVATIVES AS JAK3 INHIBITORS JAK3, JAK2, JAK1 LCK 206/4885JAK3 1/4885AKT2 1555/4885

“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.