SCHEMBL17713980

SCHEMBL17713980

Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2C1CCCCC1

nearest known ligand 0.98

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 19/20 0.98
LCK P06239 4/20 0.98
LYN P07948 4/20 0.98
NUDT14 O95848 2/20 0.79
NUDT5 Q9UKK9 2/20 0.79
SRC P12931 3/20 0.74
KDR P35968 2/20 0.74
TEK Q02763 1/20 0.74
PIK3CD O00329 1/20 0.70
PIK3CA P42336 1/20 0.70
PIK3CB P42338 1/20 0.70
PIK3CG P48736 1/20 0.70
PRKDC P78527 1/20 0.70
EGFR P00533 5/20 0.69
TEC P42680 4/20 0.67
BMX P51813 4/20 0.67
ITK Q08881 3/20 0.67
BLK P51451 3/20 0.67
TXK P42681 2/20 0.67
FGFR2 P21802 2/20 0.67

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
SCHEMBL30586962 0.99 BTK (1.00) BTKLCKLYNNUDT14NUDT5
SCHEMBL6431516 0.99 BTK (1.00) BTKLCKLYNNUDT14NUDT5
Pyrimidine SCHEMBL7047852 0.94 BTK (0.90) BTKLCKLYNNUDT14NUDT5
SCHEMBL25466299 0.90 BTK (0.80) BTKLCKLYNNUDT14NUDT5
SCHEMBL15915382 0.90 BTK (0.84) BTKLCKLYNNUDT14NUDT5
SCHEMBL2631407 0.90 BTK (0.84) BTKLCKLYNNUDT14NUDT5
SCHEMBL19335138 0.90 BTK (0.79) BTKLCKLYNNUDT14NUDT5
SCHEMBL19335172 0.90 BTK (0.79) BTKLCKLYNNUDT14NUDT5
SCHEMBL22364036 0.90 BTK (0.79) BTKLCKLYNNUDT14NUDT5
SCHEMBL2360644 0.90 BTK (0.79) BTKLCKLYNNUDT14NUDT5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230137175-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF BRUTON'S TYROSINE KINASE ENDOTARGET INC. 2023-05-04 US disclosed
EP-3912980-A1 CYCLIC MOLECULES AS BRUTON'S TYROSINE KINASE INHIBITOR Minghui Pharmaceutical (Shanghai) Limited (CN) 2021-11-24 EP disclosed
WO-2021195439-A1 ENTERIC NITRERGIC NEURONS AND METHODS OF USING THE SAME THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-09-30 WO disclosed
WO-2021188417-A1 COMPOUNDS FOR TREATING OR INHIBITING RECURRENCE OF ACUTE MYELOID LEUKEMIA FLASH THERAPEUTICS, LLC (US) 2021-09-23 WO disclosed
WO-2020263935-A1 HCK DEGRADERS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-12-30 WO disclosed
US-20180044339-A1 PROCESS FOR PREPARING IBRUTINIB LIANYUNGANG RUNZHONG PHARMACEUTICAL CO., LTD. (CN) 2018-02-15 US disclosed
US-9834561-B2 Process for preparing ibrutinib and its intermediates SCINOPHARM TAIWAN, LTD. (TW) 2017-12-05 US disclosed
US-20170327504-A1 Synthesis of Substituted 1H-Pyrazolo[3,4-D]Pyrimidines SANDOZ AG (CH) 2017-11-16 US disclosed
US-20170327504-A1 Synthesis of Substituted 1H-Pyrazolo[3,4-D]Pyrimidines SANDOZ AG (CH) 2017-11-16 US disclosed
US-20170327504-A1 Synthesis of Substituted 1H-Pyrazolo[3,4-D]Pyrimidines SANDOZ AG (CH) 2017-11-16 US disclosed
EP-3212624-A1 SYNTHESIS OF SUBSTITUTED 1H-PYRAZOLO[3,4-D]PYRIMIDINES Sandoz AG (CH) 2017-09-06 EP disclosed
US-20170145017-A1 PROCESS FOR PREPARING IBRUTINIB AND ITS INTERMEDIATES SCINOPHARM TAIWAN, LTD. (TW) 2017-05-25 US disclosed
WO-2016066673-A1 SYNTHESIS OF SUBSTITUTED 1H-PYRAZOLO[3,4-D]PYRIMIDINES SANDOZ AG (CH) 2016-05-06 WO disclosed
WO-2016066673-A1 SYNTHESIS OF SUBSTITUTED 1H-PYRAZOLO[3,4-D]PYRIMIDINES SANDOZ AG (CH) 2016-05-06 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-20170327504-A1 Synthesis of Substituted 1H-Pyrazolo[3,4-D]Pyrimidines BTK, ABL1, SYK BTK 1/4885LCK 10/4885LYN 6/4885
US-20170145017-A1 PROCESS FOR PREPARING IBRUTINIB AND ITS INTERMEDIATES BTK, SYK, MYD88 BTK 1/4885LCK 27/4885LYN 5/4885
US-20230137175-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF BRUTON'S TYROSINE KINASE BTK, BCL9, CRBN BTK 1/4885LCK 20/4885LYN 10/4885
US-20180044339-A1 PROCESS FOR PREPARING IBRUTINIB BTK, SYK, ABL1 BTK 1/4885LCK 20/4885LYN 4/4885

“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.