SCHEMBL16075647

SCHEMBL16075647

Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2C1CCCN(Cc2ccccc2)C1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 20/20 0.73
▸ LYN P07948 3/20 0.73
▸ LCK P06239 2/20 0.73
▸ EGFR P00533 3/20 0.66
▸ TEC P42680 3/20 0.66
▸ BMX P51813 3/20 0.66
▸ TXK P42681 2/20 0.66
▸ FGFR2 P21802 2/20 0.66
▸ ITK Q08881 2/20 0.66
▸ FLT3 P36888 2/20 0.66
▸ NUDT14 O95848 2/20 0.66
▸ NUDT5 Q9UKK9 2/20 0.66
▸ BLK P51451 2/20 0.66
▸ RIPK2 O43353 1/20 0.66
▸ NR1I2 O75469 1/20 0.66
▸ SLC22A3 O75751 1/20 0.66
▸ LATS1 O95835 1/20 0.66
▸ ABL1 P00519 1/20 0.66
▸ ERBB2 P04626 1/20 0.66
▸ FYN P06241 1/20 0.66

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
SCHEMBL16078937 1.00 BTK (0.73) BTKLYNLCKEGFRTEC
SCHEMBL23226083 0.90 BTK (0.74) BTKLYNLCKEGFRTEC
SCHEMBL23226086 0.90 BTK (0.74) BTKLYNLCKEGFRTEC
SCHEMBL30353041 0.90 BTK (0.71) BTKLYNLCKEGFRTEC
SCHEMBL16082979 0.89 BTK (0.62) BTKLYNLCKEGFRITK
SCHEMBL6430702 0.89 BTK (0.76) BTKLYNLCKEGFRTEC
SCHEMBL28409686 0.88 BTK (0.78) BTKLYNLCKEGFRTEC
SCHEMBL28409697 0.88 BTK (0.78) BTKLYNLCKEGFRTEC
SCHEMBL28409758 0.88 BTK (0.78) BTKLYNLCKEGFRTEC
SCHEMBL18131947 0.88 BTK (0.71) BTKLYNLCKEGFRTEC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10435409-B2 Process for the preparation of ibrutinib SHILPA MEDICARE LIMITED 2019-10-08 — — US claimed
EP-2970291-B1 PROCESSES AND INTERMEDIATES FOR PREPARING A MEDICAMENT JANSSEN PHARMACEUTICA NV (BE) 2022-05-11 — — EP disclosed
US-10435409-B2 Process for the preparation of ibrutinib SHILPA MEDICARE LIMITED 2019-10-08 — — US disclosed
US-10435409-B2 Process for the preparation of ibrutinib SHILPA MEDICARE LIMITED 2019-10-08 — — US disclosed
US-20190040069-A1 PROCESS FOR THE PREPARATION OF IBRUTINIB SHILPA MEDICARE LIMITED (IN) 2019-02-07 — — US disclosed
US-20190040069-A1 PROCESS FOR THE PREPARATION OF IBRUTINIB SHILPA MEDICARE LIMITED (IN) 2019-02-07 — — US disclosed
WO-2017134588-A1 PROCESS FOR THE PREPARATION OF IBRUTINIB SHILPA MEDICARE LIMITED (IN) 2017-08-10 — — WO disclosed
WO-2017134588-A1 PROCESS FOR THE PREPARATION OF IBRUTINIB SHILPA MEDICARE LIMITED (IN) 2017-08-10 — — WO disclosed
US-20150376193-A1 PROCESSES AND INTERMEDIATES FOR PREPARING A MEDICAMENT JANSSEN PHARMACEUTICA NV (BE) 2015-12-31 — — US 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
US-9156847-B2 Processes and intermediates for preparing a medicament JANSSEN PHARMACEUTICA NV (BE) 2015-10-13 — — US disclosed
US-20140275126-A1 PROCESSES AND INTERMEDIATES FOR PREPARING A MEDICAMENT JANSSEN PHARMACEUTICA NV (BE) 2014-09-18 — — US disclosed
US-20140275126-A1 PROCESSES AND INTERMEDIATES FOR PREPARING A MEDICAMENT JANSSEN PHARMACEUTICA NV (BE) 2014-09-18 — — US disclosed
WO-2014139970-A1 PROCESSES AND INTERMEDIATES FOR PREPARING A MEDICAMENT JANSSEN PHARMACEUTICA NV (BE) 2014-09-18 — — WO 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 1/4885LYN 5/4885LCK 30/4885
US-20190040069-A1 PROCESS FOR THE PREPARATION OF IBRUTINIB BTK, SYK, JAK1 BTK 1/4885LYN 7/4885LCK 45/4885
US-20140275126-A1 PROCESSES AND INTERMEDIATES FOR PREPARING A MEDICAMENT BTK, SYK, JAK2 BTK 1/4885LYN 5/4885LCK 30/4885
US-10435409-B2 Process for the preparation of ibrutinib BTK, SYK, JAK1 BTK 1/4885LYN 6/4885LCK 58/4885

“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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