SCHEMBL5804172

SCHEMBL5804172

Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2[C@H]1CC[C@H](N2CCNCC2)CC1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 18/20 0.80
LCK P06239 6/20 0.80
SRC P12931 4/20 0.80
TEK Q02763 3/20 0.80
KDR P35968 2/20 0.80
LYN P07948 2/20 0.75
NUDT14 O95848 1/20 0.73
NUDT5 Q9UKK9 1/20 0.73
EGFR P00533 3/20 0.64
ITK Q08881 2/20 0.62
ABL1 P00519 1/20 0.62
ERBB2 P04626 1/20 0.62
FYN P06241 1/20 0.62
YES1 P07947 1/20 0.62
HCK P08631 1/20 0.62
FGR P09769 1/20 0.62
FER P16591 1/20 0.62
CSK P41240 1/20 0.62
TEC P42680 1/20 0.62
BLK P51451 1/20 0.62

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
SCHEMBL5804169 1.00 BTK (0.80) BTKLCKSRCTEKKDR
SCHEMBL6431013 1.00 BTK (0.80) BTKLCKSRCTEKKDR
SCHEMBL30144776 0.94 BTK (0.75) BTKLCKSRCTEKKDR
SCHEMBL6435508 0.94 BTK (0.75) BTKLCKSRCTEKKDR
SCHEMBL22720882 0.94 BTK (0.75) BTKLCKSRCTEKKDR
SCHEMBL22737441 0.94 BTK (0.75) BTKLCKSRCTEKKDR
SCHEMBL22720857 0.94 BTK (0.75) BTKLCKSRCTEKKDR
Trifluoroacetic Acid SCHEMBL28932027 0.93 BTK (0.70) BTKLCKSRCTEKKDR
SCHEMBL30301973 0.93 BTK (0.77) BTKLCKSRCTEKKDR
SCHEMBL26105120 0.92 BTK (0.81) 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 15 patents. 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
CN-114746095-A HCK as therapeutic target of MYD88 mutant disease 达纳-法伯癌症研究所有限公司 2022-07-12 CN 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-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
EP-1385524-A4 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO KG (DE) 2006-02-01 EP 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
EP-1385524-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS Abbott GmbH & Co. KG (DE) 2004-02-04 EP 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
WO-2002080926-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO. KG (DE) 2002-10-17 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-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-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.