SCHEMBL14706376

SCHEMBL14706376

C=CC(=O)N(C)c1ccc(-n2nc(I)c3c(N)ncnc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 5/20 0.41
▸ EGFR P00533 4/20 0.41
▸ JAK2 O60674 4/20 0.41
▸ RET P07949 2/20 0.40
▸ BTK Q06187 4/20 0.39
▸ LCK P06239 2/20 0.39
▸ ITK Q08881 1/20 0.39
▸ SRC P12931 5/20 0.38
▸ BLK P51451 2/20 0.36
▸ CDC7 O00311 1/20 0.36
▸ PLK4 O00444 1/20 0.36
▸ DYRK3 O43781 1/20 0.36
▸ PRKD3 O94806 1/20 0.36
▸ MAP4K4 O95819 1/20 0.36
▸ NTRK1 P04629 1/20 0.36
▸ INSR P06213 1/20 0.36
▸ FYN P06241 1/20 0.36
▸ CDK1 P06493 1/20 0.36
▸ ROS1 P08922 1/20 0.36
▸ FER P16591 1/20 0.36

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
SCHEMBL14693476 0.88 JAK3 (0.39) JAK3EGFRJAK2BTKLCK
SCHEMBL14693472 0.85 BTK (0.46) EGFRRETBTKLCKITK
SCHEMBL14693470 0.85 BTK (0.46) EGFRRETBTKLCKITK
SCHEMBL14706377 0.78 JAK2 (0.49) JAK3EGFRJAK2RETBTK
SCHEMBL14693446 0.77 ITK (0.45) JAK3EGFRBTKLCKITK
SCHEMBL2969443 0.74 SRC (0.46) JAK3EGFRJAK2RETLCK
SCHEMBL14693422 0.74 BTK (0.53) EGFRBTKLCKITKSRC
SCHEMBL14693423 0.74 BTK (0.53) EGFRBTKLCKITKSRC
SCHEMBL13201536 0.73 SRC (0.47) EGFRJAK2RETLCKSRC
SCHEMBL14693415 0.73 BTK (0.41) EGFRBTKLCKITKKDR

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 JAK3 41/4885EGFR 1715/4885JAK2 17/4885

“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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