SCHEMBL14693582

SCHEMBL14693582

COc1cc(-c2nn(-c3ccc(N(C)C(=O)/C=C/CN(C)C)cc3)c3ncnc(N)c23)ccc1C

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 4/20 0.43
▸ FGFR1 P11362 1/20 0.42
▸ FGFR2 P21802 1/20 0.42
▸ FGFR3 P22607 1/20 0.42
▸ EGFR P00533 12/20 0.42
▸ LCK P06239 2/20 0.42
▸ ITK Q08881 2/20 0.42
▸ SRC P12931 15/20 0.42
▸ ABL1 P00519 11/20 0.42
▸ PIK3CD O00329 10/20 0.41
▸ HCK P08631 10/20 0.41
▸ PIK3CA P42336 10/20 0.41
▸ PIK3CB P42338 10/20 0.41
▸ MTOR P42345 10/20 0.41
▸ PIK3CG P48736 10/20 0.41
▸ EPHB4 P54760 10/20 0.41
▸ PRKDC P78527 10/20 0.41
▸ KDR P35968 9/20 0.41
▸ PI4KB Q9UBF8 8/20 0.41

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
SCHEMBL14693583 1.00 BTK (0.43) BTKFGFR1FGFR2FGFR3EGFR
SCHEMBL14706389 0.92 SRC (0.41) BTKEGFRLCKITKSRC
SCHEMBL15086970 0.92 FGFR1 (0.41) BTKFGFR1FGFR2FGFR3EGFR
SCHEMBL14706396 0.92 BTK (0.48) BTKFGFR1FGFR2FGFR3EGFR
SCHEMBL15086973 0.92 FGFR1 (0.42) BTKFGFR1FGFR2FGFR3EGFR
SCHEMBL14706390 0.91 EGFR (0.44) BTKEGFRLCKITKSRC
SCHEMBL14693516 0.90 FGFR1 (0.41) BTKFGFR1FGFR2FGFR3EGFR
SCHEMBL14693517 0.90 FGFR1 (0.41) BTKFGFR1FGFR2FGFR3EGFR
SCHEMBL18380711 0.90 FGFR1 (0.43) BTKFGFR1FGFR2FGFR3EGFR
SCHEMBL14706416 0.90 SRC (0.44) BTKFGFR1FGFR2FGFR3EGFR

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 1/4885FGFR1 1752/4885FGFR2 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.

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