SCHEMBL21330630

SCHEMBL21330630

C=CC(=O)N1CCCC(n2nc(-c3ccc(Oc4ccccc4)nc3)c3c(N)ncnc32)C1

nearest known ligand 0.91

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 19/20 0.91
BLK P51451 3/20 0.86
ITK Q08881 4/20 0.84
EGFR P00533 3/20 0.84
TEC P42680 3/20 0.84
BMX P51813 3/20 0.84
TXK P42681 2/20 0.84
LYN P07948 2/20 0.84
FGFR2 P21802 2/20 0.84
FGR P09769 2/20 0.84
FLT3 P36888 2/20 0.84
CSK P41240 2/20 0.84
JAK3 P52333 2/20 0.84
RIPK2 O43353 1/20 0.84
NR1I2 O75469 1/20 0.84
SLC22A3 O75751 1/20 0.84
LATS1 O95835 1/20 0.84
NUDT14 O95848 1/20 0.84
ABL1 P00519 1/20 0.84
ERBB2 P04626 1/20 0.84

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
SCHEMBL20177281 1.00 BTK (0.91) BTKBLKITKEGFRTEC
SCHEMBL21338838 1.00 BTK (0.91) BTKBLKITKEGFRTEC
SCHEMBL20177256 0.95 BTK (1.00) BTKBLKITKEGFRTEC
SCHEMBL21330628 0.95 BTK (1.00) BTKBLKITKEGFRTEC
SCHEMBL21330632 0.93 BTK (1.00) BTKBLKITKEGFRTEC
SCHEMBL20177282 0.93 BTK (1.00) BTKBLKITKEGFRTEC
SCHEMBL20177279 0.93 BTK (1.00) BTKBLKITKEGFRTEC
SCHEMBL21338961 0.93 BTK (1.00) BTKBLKITKEGFRTEC
SCHEMBL20177219 0.92 BTK (1.00) BTKBLKITKEGFR
Ibrutinib SCHEMBL2244865 0.91 BTK (1.00) BTKBLKITKEGFRTEC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111196813-B 1,3, 4-trisubstituted pyrazolopyrimidine compound as well as preparation method and application thereof 山东大学 2021-10-26 CN disclosed
US-10711006-B2 Selective Bruton's tyrosine kinase inhibitor and use thereof HANGZHOU HERTZ PHARMACEUTICAL CO., LTD. (CN) 2020-07-14 US disclosed
CN-111196813-A 1,3, 4-trisubstituted pyrazolopyrimidine compound as well as preparation method and application thereof 山东大学 2020-05-26 CN disclosed
CN-108069974-B Selective Bruton tyrosine kinase inhibitor and application thereof HANGZHOU HERTZ PHARMACEUTICAL CO., LTD. (CN) 2019-12-10 CN disclosed
EP-3543239-A1 SELECTIVE BRUTON'S TYROSINE KINASE INHIBITOR AND USE THEREOF Hangzhou Hertz Pharmaceutical Co., Ltd. (CN) 2019-09-25 EP disclosed
US-20190276461-A1 SELECTIVE BRUTON'S TYROSINE KINASE INHIBITOR AND USE THEREOF Hangzhou Healzen Therapeutics Co., Ltd. (CN) 2019-09-12 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-20190276461-A1 SELECTIVE BRUTON'S TYROSINE KINASE INHIBITOR AND USE THEREOF BTK, BMX, KCNK10 BTK 1/4885BLK 12/4885ITK 56/4885
US-10711006-B2 Selective Bruton's tyrosine kinase inhibitor and use thereof BTK, SYK, LYN BTK 1/4885BLK 35/4885ITK 550/4885

“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.