SCHEMBL14693560

SCHEMBL14693560

CN(C(=O)/C=C/CN(C)C1CCC1)c1cccc(-n2nc(I)c3c(N)ncnc32)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 12/20 0.49
▸ EGFR P00533 8/20 0.39
▸ FGFR2 P21802 2/20 0.36
▸ LCK P06239 5/20 0.35
▸ ITK Q08881 4/20 0.35
▸ JAK2 O60674 2/20 0.35
▸ JAK3 P52333 1/20 0.35
▸ SRC P12931 2/20 0.35
▸ CDC7 O00311 1/20 0.34
▸ PLK4 O00444 1/20 0.34
▸ DYRK3 O43781 1/20 0.34
▸ PRKD3 O94806 1/20 0.34
▸ MAP4K4 O95819 1/20 0.34
▸ NTRK1 P04629 1/20 0.34
▸ INSR P06213 1/20 0.34
▸ FYN P06241 1/20 0.34
▸ CDK1 P06493 1/20 0.34
▸ RET P07949 1/20 0.34
▸ ROS1 P08922 1/20 0.34
▸ FER P16591 1/20 0.34

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
SCHEMBL14693561 1.00 BTK (0.49) BTKEGFRFGFR2LCKITK
SCHEMBL14693481 0.98 BTK (0.50) BTKEGFRFGFR2LCKITK
SCHEMBL14693479 0.98 BTK (0.50) BTKEGFRFGFR2LCKITK
SCHEMBL14693423 0.90 BTK (0.53) BTKEGFRFGFR2LCKITK
SCHEMBL14693422 0.90 BTK (0.53) BTKEGFRFGFR2LCKITK
SCHEMBL14576269 0.84 BTK (0.55) BTKEGFRLCKITKJAK3
SCHEMBL14576267 0.84 BTK (0.55) BTKEGFRLCKITKJAK3
SCHEMBL14693536 0.84 SRC (0.50) BTKEGFRLCKITKSRC
SCHEMBL14693535 0.84 SRC (0.50) BTKEGFRLCKITKSRC
SCHEMBL14617856 0.83 BTK (0.50) BTKEGFRFGFR2LCKITK

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 12 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-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-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
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-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
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 BTK 1/4885EGFR 1715/4885FGFR2 983/4885

“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.

Send feedback