SCHEMBL14693485

SCHEMBL14693485

COc1cc(-c2nn(-c3cccc(N(C)C(=O)C=CCN(C)C4CCC4)c3)c3ncnc(N)c23)ccc1C

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 4/20 0.45
▸ EGFR P00533 13/20 0.43
▸ SRC P12931 7/20 0.43
▸ ABL1 P00519 5/20 0.43
▸ PIK3CD O00329 4/20 0.43
▸ HCK P08631 4/20 0.43
▸ KDR P35968 4/20 0.43
▸ PIK3CA P42336 4/20 0.43
▸ PIK3CB P42338 4/20 0.43
▸ MTOR P42345 4/20 0.43
▸ PIK3CG P48736 4/20 0.43
▸ EPHB4 P54760 4/20 0.43
▸ PRKDC P78527 4/20 0.43
▸ PI4KB Q9UBF8 4/20 0.43
▸ KIT P10721 1/20 0.41
▸ FRK P42685 1/20 0.41
▸ PTK6 Q13882 1/20 0.41
▸ RIPK1 Q13546 1/20 0.40
▸ ITK Q08881 1/20 0.40

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
SCHEMBL14693483 1.00 BTK (0.45) BTKEGFRSRCABL1PIK3CD
SCHEMBL14693537 0.98 BTK (0.45) BTKEGFRSRCABL1PIK3CD
SCHEMBL14693540 0.98 BTK (0.45) BTKEGFRSRCABL1PIK3CD
SCHEMBL14706390 0.92 EGFR (0.44) BTKEGFRSRCABL1PIK3CD
SCHEMBL14706396 0.92 BTK (0.48) BTKEGFRSRCABL1RIPK1
SCHEMBL14706389 0.90 SRC (0.41) BTKEGFRSRCABL1PIK3CD
SCHEMBL18380727 0.88 SRC (0.42) BTKEGFRSRCABL1PIK3CD
SCHEMBL14706430 0.86 EGFR (0.42) BTKEGFRSRCABL1PIK3CD
SCHEMBL14576267 0.86 BTK (0.55) BTKEGFRKITITK
SCHEMBL14576269 0.86 BTK (0.55) BTKEGFRKITITK

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 4 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
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 1715/4885SRC 43/4885

“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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