SCHEMBL1613911

SCHEMBL1613911

Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2C1CCCN(C(=O)CCCl)C1

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 20/20 0.88
▸ FLT3 P36888 2/20 0.79
▸ KIT P10721 1/20 0.79
▸ EGFR P00533 4/20 0.75
▸ TEC P42680 3/20 0.75
▸ BMX P51813 3/20 0.75
▸ ITK Q08881 3/20 0.75
▸ TXK P42681 2/20 0.75
▸ LYN P07948 2/20 0.75
▸ FGFR2 P21802 2/20 0.75
▸ BLK P51451 2/20 0.75
▸ LCK P06239 2/20 0.75
▸ RIPK2 O43353 1/20 0.75
▸ NR1I2 O75469 1/20 0.75
▸ SLC22A3 O75751 1/20 0.75
▸ LATS1 O95835 1/20 0.75
▸ NUDT14 O95848 1/20 0.75
▸ ABL1 P00519 1/20 0.75
▸ ERBB2 P04626 1/20 0.75
▸ FYN P06241 1/20 0.75

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
SCHEMBL1613909 1.00 BTK (0.88) BTKFLT3KITEGFRTEC
SCHEMBL17951884 0.94 BTK (0.89) BTKFLT3KITEGFRTEC
SCHEMBL30797832 0.94 BTK (1.00) BTKFLT3KITEGFRTEC
SCHEMBL3363036 0.93 BTK (0.85) BTKFLT3KITEGFRTEC
SCHEMBL22625356 0.93 BTK (0.85) BTKFLT3KITEGFRTEC
SCHEMBL31615786 0.93 BTK (0.85) BTKFLT3KITEGFRTEC
SCHEMBL20204786 0.93 BTK (0.85) BTKFLT3KITEGFRTEC
SCHEMBL17951807 0.92 BTK (0.84) BTKFLT3KITEGFRTEC
SCHEMBL22625353 0.92 BTK (0.84) BTKFLT3KITEGFRTEC
SCHEMBL19649286 0.92 BTK (0.84) BTKFLT3KITEGFRTEC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116023397-A Preparation method of ibrutinib dimer impurity 深圳振强生物技术有限公司 2023-04-28 — — CN claimed
CN-116023397-A Preparation method of ibrutinib dimer impurity 深圳振强生物技术有限公司 2023-04-28 — — CN disclosed
CN-116023397-A Preparation method of ibrutinib dimer impurity 深圳振强生物技术有限公司 2023-04-28 — — CN disclosed
EP-3257855-A1 METHOD FOR PREPARING IBRUTINIB Shanghai Dude Medical Science and Technology Co., Ltd. (CN) 2017-12-20 — — EP disclosed
WO-2016170545-A1 PROCESS FOR THE PREPARATION OF 1-[(3R)-3-[4-AMINO-3-(4-PHENOXYPHENVL)-1H- PVRAZOLO[3,4-D]PYRINIIDIN-1-Y1]-1-PIPERIDINVL]-2-PROPEN-1-ONE AND ITS POLYMORPHS THEREOF MSN LABORATORIES PRIVATE LIMITED (IN) 2016-10-27 — — WO disclosed
EP-2650294-B1 Inhibitors of Bruton's Tyrosine Kinase PHARMACYCLICS LLC (US) 2016-07-20 — — EP disclosed
US-9012463-B2 Inhibitors of bruton's tyrosine kinase PHARMACYCLICS, INC. (US) 2015-04-21 — — US disclosed
US-20140080844-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2014-03-20 — — US disclosed
EP-2650294-A1 Inhibitors of Bruton's Tyrosine Kinase Pharmacyclics, Inc. (US) 2013-10-16 — — EP disclosed
US-20110086866-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2011-04-14 — — 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 (2 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-20110086866-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 BTK 2/4885FLT3 139/4885KIT 692/4885
US-20140080844-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 BTK 2/4885FLT3 139/4885KIT 692/4885

“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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