SCHEMBL9897723

SCHEMBL9897723

COc1cccc(Nc2ncnc3[nH]cc(CN4CCC(C)(NC(=O)OC(C)(C)C)CC4)c23)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 3/20 0.46
BTK Q06187 2/20 0.44
EGFR P00533 4/20 0.41
LIMK2 P53671 4/20 0.41
BRAF P15056 2/20 0.40
TNNI3K Q59H18 2/20 0.40
CIT O14578 1/20 0.39
CHEK1 O14757 1/20 0.39
GAK O14976 1/20 0.39
STK10 O94804 1/20 0.39
PRKD3 O94806 1/20 0.39
ABL1 P00519 1/20 0.39
LCK P06239 1/20 0.39
FYN P06241 1/20 0.39
YES1 P07947 1/20 0.39
LYN P07948 1/20 0.39
RET P07949 1/20 0.39
HCK P08631 1/20 0.39
SRC P12931 1/20 0.39
PHKG2 P15735 1/20 0.39

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
SCHEMBL9898479 0.90 EGFR (0.43) EGFRLIMK2BRAFTNNI3KABL1
SCHEMBL9895699 0.88 EGFR (0.41) EGFRBRAFTNNI3KGAKSRC
SCHEMBL9943065 0.85 MKNK1 (0.42) MKNK1BTKEGFRSRCPRKACA
SCHEMBL9928296 0.85 EGFR (0.52) MKNK1EGFRLIMK2BRAFTNNI3K
SCHEMBL9928318 0.84 EGFR (0.48) MKNK1EGFRLIMK2BRAFTNNI3K
SCHEMBL9899033 0.84 AAK1 (0.35) BTKEGFRBRAFTNNI3KSRC
SCHEMBL9898864 0.82 EGFR (0.42) MKNK1EGFRLIMK2ABL1ABL2
SCHEMBL9943114 0.79 BTK (0.36) BTKRETDRD2DRD3
SCHEMBL13471641 0.76 BTK (0.53) BTKLIMK2AAK1
SCHEMBL9899608 0.76 KDR (0.34) MKNK1BTKEGFRBRAFTNNI3K

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-2511276-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE Ube Industries, Ltd. (JP) 2012-10-17 EP disclosed
EP-2511276-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE Ube Industries, Ltd. (JP) 2012-10-17 EP disclosed
US-20120149902-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE UBE INDUSTRIES, LTD. (JP) 2012-06-14 US disclosed
US-20120149902-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE UBE INDUSTRIES, LTD. (JP) 2012-06-14 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 (1 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-20120149902-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE ERBB2, EGFR, FGFR1 MKNK1 1537/4885BTK 50/4885EGFR 2/4885

“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.