SCHEMBL2019902

SCHEMBL2019902

NC(=O)NC1CCN(c2ncnc3[nH]ccc23)C1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 5/20 0.62
DOT1L Q8TEK3 2/20 0.61
BTK Q06187 6/20 0.60
JAK2 O60674 3/20 0.60
AKT2 P31751 2/20 0.60
GSK3B P49841 2/20 0.60
KIT P10721 2/20 0.60
LCK P06239 1/20 0.58
JAK1 P23458 2/20 0.57
TEC P42680 1/20 0.57
TXK P42681 1/20 0.57
BMX P51813 1/20 0.57
ITK Q08881 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
SCHEMBL3951434 0.89 JAK3 (0.65) JAK3DOT1LBTKJAK2AKT2
SCHEMBL10074324 0.84 JAK3 (0.57) JAK3DOT1LBTKJAK2KIT
SCHEMBL15169781 0.84 JAK3 (0.57) JAK3DOT1LBTKJAK2KIT
SCHEMBL29436071 0.83 KIT (0.66) JAK3DOT1LBTKJAK2AKT2
SCHEMBL3581999 0.83 BTK (0.60) JAK3DOT1LBTKJAK2AKT2
SCHEMBL15170325 0.83 DOT1L (0.86) JAK3DOT1LJAK2AKT2GSK3B
SCHEMBL10074310 0.83 DOT1L (0.86) JAK3DOT1LJAK2AKT2GSK3B
SCHEMBL28068412 0.81 JAK3 (0.60) JAK3DOT1LBTKJAK2AKT2
SCHEMBL10207249 0.81 BTK (0.89) BTKTECTXKBMXITK
SCHEMBL10207454 0.81 BTK (0.89) BTKTECTXKBMXITK

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 JAK3 1/4885DOT1L 2111/4885BTK 78/4885
US-20100113420-A1 PYRROLOPYRIMIDINE DERIVATIVES AS JAK3 INHIBITORS JAK3, JAK2, JAK1 JAK3 1/4885DOT1L 2111/4885BTK 78/4885

“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.