SCHEMBL3581999

SCHEMBL3581999

O=C(NC1CCN(c2ncnc3[nH]ccc23)C1)Oc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BTK Q06187 9/20 0.60
JAK3 P52333 3/20 0.54
DOT1L Q8TEK3 1/20 0.53
JAK1 P23458 2/20 0.52
JAK2 O60674 1/20 0.52
KIT P10721 2/20 0.52
AKT2 P31751 2/20 0.51
GSK3B P49841 1/20 0.51
TEC P42680 1/20 0.51
TXK P42681 1/20 0.51
BMX P51813 1/20 0.51
ITK Q08881 1/20 0.51

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
SCHEMBL2019902 0.83 JAK3 (0.62) BTKJAK3DOT1LJAK1JAK2
SCHEMBL10074324 0.83 JAK3 (0.57) BTKJAK3DOT1LJAK1JAK2
SCHEMBL15169781 0.83 JAK3 (0.57) BTKJAK3DOT1LJAK1JAK2
SCHEMBL3951434 0.82 JAK3 (0.65) BTKJAK3DOT1LJAK1JAK2
SCHEMBL1531596 0.81 BTK (0.74) BTKDOT1LTECTXKBMX
SCHEMBL10207249 0.80 BTK (0.89) BTKTECTXKBMXITK
SCHEMBL10207454 0.80 BTK (0.89) BTKTECTXKBMXITK
SCHEMBL9939061 0.80 BTK (0.59) BTKKITAKT2GSK3B
SCHEMBL9938728 0.78 KIT (0.62) BTKJAK3JAK1JAK2KIT
SCHEMBL29436071 0.78 KIT (0.66) BTKJAK3DOT1LJAK1JAK2

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

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

“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.