SCHEMBL6430568

SCHEMBL6430568

CN1CCN([C@H]2CC[C@H](n3nc(-c4ccc(Oc5ccccc5)cc4)c4c(N)ncnc43)CC2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 12/20 1.00
LCK P06239 11/20 1.00
SRC P12931 9/20 1.00
TEK Q02763 8/20 1.00
KDR P35968 3/20 1.00
NUDT14 O95848 2/20 0.85
NUDT5 Q9UKK9 2/20 0.85
LYN P07948 3/20 0.75
EGFR P00533 5/20 0.68
ITK Q08881 3/20 0.68
ERBB2 P04626 3/20 0.68
ERBB4 Q15303 3/20 0.68
ABL1 P00519 2/20 0.68
FYN P06241 2/20 0.68
HCK P08631 2/20 0.68
FER P16591 2/20 0.68
CSK P41240 2/20 0.68
BLK P51451 2/20 0.68
PTK6 Q13882 2/20 0.68
PLK4 O00444 1/20 0.68

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
SCHEMBL6430567 1.00 BTK (1.00) BTKLCKSRCTEKKDR
SCHEMBL29763088 1.00 BTK (1.00) BTKLCKSRCTEKKDR
SCHEMBL6433141 1.00 BTK (1.00) BTKLCKSRCTEKKDR
SCHEMBL5804616 0.94 BTK (0.93) BTKLCKSRCTEKKDR
SCHEMBL6434063 0.93 BTK (0.86) BTKLCKSRCTEKKDR
SCHEMBL21341768 0.92 BTK (1.00) BTKLCKSRCTEKKDR
SCHEMBL6432477 0.91 LCK (0.83) BTKLCKSRCTEKKDR
SCHEMBL6432474 0.91 LCK (0.83) BTKLCKSRCTEKKDR
SCHEMBL6430895 0.91 LCK (0.83) BTKLCKSRCTEKKDR
SCHEMBL5789383 0.91 LCK (0.83) BTKLCKSRCTEKKDR

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220395509-A1 A PYRAZOLOPYRIMIDINE DERIVATIVE AS A HCK INHIBITOR FOR USE IN THERAPY, IN PARTICULAR MYD88 MUTATED DISEASES DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-12-15 US disclosed
WO-2021071922-A1 A PYRAZOLOPYRIMIDINE DERIVATIVE AS A HCK INHIBITOR FOR USE IN THERAPY, IN PARTICULAR MYD88 MUTATED DISEASES DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-04-15 WO disclosed
WO-2020263935-A1 HCK DEGRADERS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-12-30 WO disclosed
US-20190255056-A1 A HCK INHIBITOR AND A BCL-2 INHIBITOR FOR TREATING ACUTE MYELOID LEUKEMIA RIKEN (JP) 2019-08-22 US disclosed
EP-2878601-B1 AGENT FOR TREATING OR CONTROLLING RECURRENCE OF ACUTE MYELOGENOUS LEUKEMIA RIKEN (JP) 2018-03-28 EP disclosed
EP-2878601-B1 AGENT FOR TREATING OR CONTROLLING RECURRENCE OF ACUTE MYELOGENOUS LEUKEMIA RIKEN (JP) 2018-03-28 EP disclosed
US-9604988-B2 Agent for treating or inhibiting recurrence of acute myeloid leukemia RIKEN (JP) 2017-03-28 US disclosed
US-9604988-B2 Agent for treating or inhibiting recurrence of acute myeloid leukemia RIKEN (JP) 2017-03-28 US disclosed
US-9604988-B2 Agent for treating or inhibiting recurrence of acute myeloid leukemia RIKEN (JP) 2017-03-28 US disclosed
US-20150210698-A1 AGENT FOR TREATING OR INHIBITING RECURRENCE OF ACUTE MYELOID LEUKEMIA RIKEN (JP) 2015-07-30 US disclosed
EP-2878601-A1 AGENT FOR TREATING OR CONTROLLING RECURRENCE OF ACUTE MYELOGENOUS LEUKEMIA Riken (JP) 2015-06-03 EP disclosed
EP-2878601-A1 AGENT FOR TREATING OR CONTROLLING RECURRENCE OF ACUTE MYELOGENOUS LEUKEMIA Riken (JP) 2015-06-03 EP disclosed
US-20070281907-A1 Kinase Inhibitor Phosphonate Conjugates GILEAD SCIENCES, INC. 2007-12-06 US disclosed
US-20070281907-A1 Kinase Inhibitor Phosphonate Conjugates GILEAD SCIENCES, INC. 2007-12-06 US disclosed
US-6921763-B2 Pyrazolopyrimidines as therapeutic agents ABBOTT LABORATORIES (US) 2005-07-26 US disclosed
US-20050008640-A1 Method of treating transplant rejection ABBOTT LABORATORIES 2005-01-13 US disclosed
WO-2004100868-A2 METHOD OF TREATING TRANSPLANT REJECTION ABBOTT LABORATORIES (US) 2004-11-25 WO disclosed
US-6660744-B1 Kinase inhibitors ABBOTT GMBH & CO. KG (DE) 2003-12-09 US disclosed
EP-1212327-B1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS BASF AG (DE) 2003-08-20 EP disclosed
US-20020156081-A1 Pyrazolopyrimidines as therapeutic agents ABBOTT LABORATORIES (US) 2002-10-24 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 (6 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-20050008640-A1 Method of treating transplant rejection LCK, ZAP70, FYN BTK 42/4885LCK 1/4885SRC 46/4885
US-20220395509-A1 A PYRAZOLOPYRIMIDINE DERIVATIVE AS A HCK INHIBITOR FOR USE IN THERAPY, IN PARTICULAR MYD88 MUTATED DISEASES HCK, BTK, MYD88 BTK 2/4885LCK 15/4885SRC 47/4885
US-20190255056-A1 A HCK INHIBITOR AND A BCL-2 INHIBITOR FOR TREATING ACUTE MYELOID LEUKEMIA MCL1, HCK, FLT3 BTK 112/4885LCK 67/4885SRC 147/4885
US-20150210698-A1 AGENT FOR TREATING OR INHIBITING RECURRENCE OF ACUTE MYELOID LEUKEMIA MCL1, BCOR, RUNX1 BTK 3219/4885LCK 3635/4885SRC 395/4885
US-20020156081-A1 Pyrazolopyrimidines as therapeutic agents DPYD, CYP2D6, UGT1A1 BTK 1020/4885LCK 1011/4885SRC 1834/4885
US-20070281907-A1 Kinase Inhibitor Phosphonate Conjugates PIK3CA, PNKP, PLK1 BTK 203/4885LCK 266/4885SRC 235/4885

“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.