SCHEMBL16078934

SCHEMBL16078934

Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2[C@@H]1CCCN(C(=O)OCc2ccccc2)C1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 20/20 0.77
▸ EGFR P00533 4/20 0.74
▸ TEC P42680 3/20 0.74
▸ BMX P51813 3/20 0.74
▸ ITK Q08881 3/20 0.74
▸ TXK P42681 2/20 0.74
▸ LYN P07948 2/20 0.74
▸ FGFR2 P21802 2/20 0.74
▸ FLT3 P36888 2/20 0.74
▸ BLK P51451 2/20 0.74
▸ LCK P06239 2/20 0.74
▸ RIPK2 O43353 1/20 0.74
▸ NR1I2 O75469 1/20 0.74
▸ SLC22A3 O75751 1/20 0.74
▸ LATS1 O95835 1/20 0.74
▸ NUDT14 O95848 1/20 0.74
▸ ABL1 P00519 1/20 0.74
▸ ERBB2 P04626 1/20 0.74
▸ FYN P06241 1/20 0.74
▸ PGR P06401 1/20 0.74

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
SCHEMBL16075644 1.00 BTK (0.77) BTKEGFRTECBMXITK
SCHEMBL16082981 0.91 BTK (0.69) BTKEGFRTECBMXITK
SCHEMBL18095743 0.89 BTK (0.85) BTKEGFRTECBMXITK
SCHEMBL16931733 0.89 BTK (0.85) BTKEGFRTECBMXITK
SCHEMBL17951499 0.88 BTK (0.82) BTKEGFRTECBMXITK
SCHEMBL26107694 0.88 BTK (0.70) BTKEGFRTECBMXITK
SCHEMBL1613393 0.87 BTK (0.88) BTKEGFRTECBMXITK
SCHEMBL30615735 0.87 BTK (1.00) BTKEGFRTECBMXITK
SCHEMBL17951575 0.87 BTK (1.00) BTKEGFRTECBMXITK
SCHEMBL1613392 0.87 BTK (0.88) BTKEGFRTECBMXITK

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190040070-A1 PROCESS FOR THE SYNTHESIS OF STABLE AMORPHOUS IBRUTINIB AZAD PHARMACEUTICAL INGREDIENTS AG (CH) 2019-02-07 — — US disclosed
US-9834561-B2 Process for preparing ibrutinib and its intermediates SCINOPHARM TAIWAN, LTD. (TW) 2017-12-05 — — US disclosed
US-20170145017-A1 PROCESS FOR PREPARING IBRUTINIB AND ITS INTERMEDIATES SCINOPHARM TAIWAN, LTD. (TW) 2017-05-25 — — US disclosed
WO-2017074265-A1 PROCESS FOR PREPARING IBRUTINIB AND ITS INTERMEDIATES SCINOPHARM TAIWAN, LTD. (TW) 2017-05-04 — — WO disclosed
US-20150376193-A1 PROCESSES AND INTERMEDIATES FOR PREPARING A MEDICAMENT JANSSEN PHARMACEUTICA NV (BE) 2015-12-31 — — US disclosed
US-9156847-B2 Processes and intermediates for preparing a medicament JANSSEN PHARMACEUTICA NV (BE) 2015-10-13 — — US disclosed
WO-2014139970-A1 PROCESSES AND INTERMEDIATES FOR PREPARING A MEDICAMENT JANSSEN PHARMACEUTICA NV (BE) 2014-09-18 — — WO disclosed
US-20140275126-A1 PROCESSES AND INTERMEDIATES FOR PREPARING A MEDICAMENT JANSSEN PHARMACEUTICA NV (BE) 2014-09-18 — — 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 (4 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-20150376193-A1 PROCESSES AND INTERMEDIATES FOR PREPARING A MEDICAMENT BTK, SYK, JAK2 BTK 1/4885EGFR 881/4885TEC 488/4885
US-20170145017-A1 PROCESS FOR PREPARING IBRUTINIB AND ITS INTERMEDIATES BTK, SYK, MYD88 BTK 1/4885EGFR 618/4885TEC 457/4885
US-20140275126-A1 PROCESSES AND INTERMEDIATES FOR PREPARING A MEDICAMENT BTK, SYK, JAK2 BTK 1/4885EGFR 881/4885TEC 488/4885
US-20190040070-A1 PROCESS FOR THE SYNTHESIS OF STABLE AMORPHOUS IBRUTINIB BCL6B, BCL6, BCL9 BTK 5/4885EGFR 599/4885TEC 2196/4885

“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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