SCHEMBL13077693

SCHEMBL13077693

Cc1nc(C(C)C)c2c(N)nccn12

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.46
IGF1R P08069 1/20 0.41
TNK2 Q07912 9/20 0.40
ABL1 P00519 5/20 0.40
SRC P12931 4/20 0.40
TLR7 Q9NYK1 2/20 0.37
RET P07949 1/20 0.33
KDR P35968 1/20 0.33

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
SCHEMBL410098 0.83 TNK2 (0.52) BTKTNK2ABL1SRCTLR7
SCHEMBL463424 0.79 BTK (0.50) BTKIGF1RTNK2ABL1SRC
SCHEMBL23044547 0.76 BTK (0.48) BTKIGF1RTNK2ABL1SRC
SCHEMBL12165128 0.76 BTK (0.51) BTKIGF1RTNK2ABL1SRC
SCHEMBL13201547 0.76 BTK (0.48) BTKIGF1RTNK2ABL1SRC
SCHEMBL24696960 0.75 BTK (0.47) BTKIGF1RTNK2ABL1SRC
SCHEMBL23960263 0.73 BTK (0.46) BTKIGF1RTNK2ABL1SRC
SCHEMBL2618928 0.73 TNK2 (0.52) BTKIGF1RTNK2ABL1SRC
SCHEMBL13077692 0.70 RET (0.40) RETKDR
SCHEMBL14490306 0.70 BTK (0.66) BTKIGF1RTNK2ABL1SRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3912980-A1 CYCLIC MOLECULES AS BRUTON'S TYROSINE KINASE INHIBITOR Minghui Pharmaceutical (Shanghai) Limited (CN) 2021-11-24 EP disclosed
US-20170246169-A1 Inhibitors of Bruton's Tyrosine Kinase for the Treatment of Solid Tumors PHARMACYCLICS, INC. 2017-08-31 US disclosed
US-7825118-B2 4-Amino-3-phenyl-1H-pyrazolo[3,4-d]pyrimidine derivatives; can be covalently bonded to Bruton's tyrosine kinase; autoimmune diseases, lymphoma, leukemia; antiproliferative, anticarcinogenic and antiinflammatory agents PHARMACYCLICS, INC. (US) 2010-11-02 US disclosed
US-20080139582-A1 4-Amino-3-phenyl-1H-pyrazolo[3,4-d]pyrimidine derivatives; can be covalently bonded to Bruton's tyrosine kinase; autoimmune diseases, lymphoma, leukemia; antiproliferative, anticarcinogenic and antiinflammatory agents PHARMACYCLICS, INC. (US) 2008-06-12 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-20080139582-A1 4-Amino-3-phenyl-1H-pyrazolo[3,4-d]pyrimidine derivatives; can be covalently bonded to Bruton's tyrosine kinase; autoimmune diseases, lymphoma, leukemia; antiproliferative, anticarcinogenic and antiinflammatory agents BTK, LCK, LYN BTK 1/4885IGF1R 1738/4885TNK2 276/4885
US-20170246169-A1 Inhibitors of Bruton's Tyrosine Kinase for the Treatment of Solid Tumors BTK, ABL1, LYN BTK 1/4885IGF1R 1124/4885TNK2 112/4885

“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.