SCHEMBL14693480

SCHEMBL14693480

COc1cc(-c2nn(-c3ccc(NC(=O)C=CCN(C)C)cc3)c3ncnc(N)c23)ccc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 4/20 0.46
▸ EGFR P00533 6/20 0.45
▸ LCK P06239 3/20 0.45
▸ ITK Q08881 2/20 0.45
▸ KDR P35968 5/20 0.42
▸ FGFR1 P11362 4/20 0.42
▸ FGFR2 P21802 4/20 0.42
▸ FLT1 P17948 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ SRC P12931 8/20 0.42
▸ ABL1 P00519 6/20 0.42
▸ PIK3CD O00329 4/20 0.42
▸ PIK3CA P42336 4/20 0.42
▸ PIK3CG P48736 4/20 0.42
▸ PRKDC P78527 4/20 0.42
▸ HCK P08631 3/20 0.42
▸ PIK3CB P42338 3/20 0.42
▸ MTOR P42345 3/20 0.42
▸ EPHB4 P54760 3/20 0.42
▸ PI4KB Q9UBF8 3/20 0.42

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
SCHEMBL14693477 1.00 BTK (0.46) BTKEGFRLCKITKKDR
SCHEMBL14706388 0.92 JAK3 (0.47) BTKEGFRLCKITKFGFR1
SCHEMBL14706391 0.87 BTK (0.45) BTKEGFRLCKITKKDR
SCHEMBL14693582 0.87 BTK (0.43) BTKEGFRLCKITKKDR
SCHEMBL14693583 0.87 BTK (0.43) BTKEGFRLCKITKKDR
SCHEMBL18380711 0.85 FGFR1 (0.43) BTKEGFRLCKITKKDR
SCHEMBL14693528 0.85 SRC (0.54) BTKEGFRLCKITKKDR
SCHEMBL14693527 0.85 SRC (0.54) BTKEGFRLCKITKKDR
SCHEMBL15086973 0.85 FGFR1 (0.42) BTKEGFRLCKITKKDR
SCHEMBL14706416 0.83 SRC (0.44) BTKEGFRLCKITKKDR

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 5 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-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
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

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 1715/4885LCK 2/4885

“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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