SCHEMBL9896700

SCHEMBL9896700

NC1CCN(Cc2c[nH]c3ncnc(Nc4cccc(Br)c4)c23)CC1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 14/20 0.51
ABL1 P00519 3/20 0.51
ABL2 P42684 3/20 0.51
CIT O14578 1/20 0.51
CHEK1 O14757 1/20 0.51
GAK O14976 1/20 0.51
STK10 O94804 1/20 0.51
PRKD3 O94806 1/20 0.51
LCK P06239 1/20 0.51
FYN P06241 1/20 0.51
YES1 P07947 1/20 0.51
LYN P07948 1/20 0.51
RET P07949 1/20 0.51
HCK P08631 1/20 0.51
SRC P12931 1/20 0.51
PHKG2 P15735 1/20 0.51
PRKCA P17252 1/20 0.51
PRKACA P17612 1/20 0.51
CSNK2A2 P19784 1/20 0.51
PRKACB P22694 1/20 0.51

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
SCHEMBL9896696 1.00 EGFR (0.51) EGFRABL1ABL2CITCHEK1
SCHEMBL9896703 1.00 EGFR (0.51) EGFRABL1ABL2CITCHEK1
SCHEMBL13471653 0.90 EGFR (0.51) EGFRABL1ABL2CITCHEK1
SCHEMBL9903974 0.87 EGFR (0.64) EGFRABL1ABL2AAK1ERBB2
SCHEMBL13471657 0.86 EGFR (0.43) EGFRABL1ABL2CITCHEK1
SCHEMBL9928291 0.84 EGFR (0.53) EGFRABL1ABL2ERBB2AURKA
SCHEMBL9943135 0.83 EGFR (0.51) EGFRABL1ABL2AAK1ERBB2
SCHEMBL9928301 0.83 EGFR (0.51) EGFRABL1ABL2ERBB2AURKA
SCHEMBL9898650 0.83 EGFR (0.51) EGFRABL1ABL2CITCHEK1
SCHEMBL9898652 0.83 EGFR (0.51) EGFRABL1ABL2CITCHEK1

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
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
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 EGFR 2/4885ABL1 6/4885ABL2 75/4885

“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.