SCHEMBL14706377

SCHEMBL14706377

C=CC(=O)Nc1ccc(-n2nc(I)c3c(N)ncnc32)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 7/20 0.49
▸ JAK3 P52333 6/20 0.49
▸ JAK1 P23458 1/20 0.49
▸ SRC P12931 3/20 0.47
▸ FGFR1 P11362 4/20 0.43
▸ FGFR4 P22455 4/20 0.43
▸ ADORA2A P29274 1/20 0.43
▸ ADORA1 P30542 1/20 0.43
▸ BTK Q06187 2/20 0.43
▸ EGFR P00533 2/20 0.42
▸ RET P07949 1/20 0.41
▸ FGFR2 P21802 1/20 0.39
▸ FGFR3 P22607 1/20 0.39

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
SCHEMBL14706375 0.82 FGFR2 (0.45) JAK2JAK3JAK1FGFR1BTK
SCHEMBL14693459 0.81 SRC (0.62) JAK2JAK3JAK1SRCFGFR1
SCHEMBL14693469 0.79 SRC (0.54) JAK2JAK3JAK1SRCFGFR1
SCHEMBL14706376 0.78 JAK3 (0.41) JAK2JAK3JAK1SRCBTK
SCHEMBL2969443 0.76 SRC (0.46) JAK2JAK3SRCEGFRRET
SCHEMBL24096486 0.73 SRC (0.50) JAK2SRCEGFRRET
SCHEMBL13201536 0.72 SRC (0.47) JAK2SRCEGFRRET
SCHEMBL5803258 0.72 XDH (0.58) JAK2SRCADORA2AADORA1EGFR
SCHEMBL14706382 0.71 EGFR (0.49) JAK2JAK3JAK1SRCBTK
SCHEMBL14975007 0.71 SRC (0.80) JAK2JAK3JAK1SRCRET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9546172-B2 Pyrazolo[3,4-d]pyrimidine and pyrazolo[2,3-d]pyrimidine compounds as kinase inhibitors PHARMACYCLICS LLC (US) 2017-01-17 — — US disclosed
US-9546172-B2 Pyrazolo[3,4-d]pyrimidine and pyrazolo[2,3-d]pyrimidine compounds as kinase inhibitors PHARMACYCLICS LLC (US) 2017-01-17 — — US disclosed
US-9273051-B2 Pyrazolo[3,4-d]pyrimidine and pyrrolo[2,3-d]pyrimidine compounds as kinase inhibitors PHARMACYCLICS LLC (US) 2016-03-01 — — US disclosed
US-9273051-B2 Pyrazolo[3,4-d]pyrimidine and pyrrolo[2,3-d]pyrimidine compounds as kinase inhibitors PHARMACYCLICS LLC (US) 2016-03-01 — — US disclosed
US-20130172314-A1 PYRAZOLO[3,4-d]PYRIMIDINE AND PYRROLO[2,3-d]PYRIMIDINE COMPOUNDS AS KINASE INHIBITORS PHARMACYCLICS, INC. (US) 2013-07-04 — — US disclosed
US-20130172314-A1 PYRAZOLO[3,4-d]PYRIMIDINE AND PYRROLO[2,3-d]PYRIMIDINE COMPOUNDS AS KINASE INHIBITORS PHARMACYCLICS, INC. (US) 2013-07-04 — — US disclosed
WO-2013102059-A1 PYRAZOLO [3, 4-D] PYRIMIDINE AND PYRROLO [2, 3-D] PYRIMIDINE COMPOUNDS AS KINASE INHIBITORS PHARMACYCLICS, INC. (US) 2013-07-04 — — WO disclosed
US-8377946-B1 Pyrazolo[3,4-d]pyrimidine and pyrrolo[2,3-d]pyrimidine compounds as kinase inhibitors PHARMACYCLICS, INC. (US) 2013-02-19 — — US disclosed
US-8377946-B1 Pyrazolo[3,4-d]pyrimidine and pyrrolo[2,3-d]pyrimidine compounds as kinase inhibitors PHARMACYCLICS, INC. (US) 2013-02-19 — — 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-20130172314-A1 PYRAZOLO[3,4-d]PYRIMIDINE AND PYRROLO[2,3-d]PYRIMIDINE COMPOUNDS AS KINASE INHIBITORS BTK, LCK, LYN JAK2 17/4885JAK3 41/4885JAK1 39/4885

“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.

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