SCHEMBL9943059

SCHEMBL9943059

Bc1cccc(Nc2ncnc3[nH]cc(CN4CCC(N)CC4)c23)c1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EGFR P00533 7/20 0.49
ERBB2 P04626 7/20 0.49
AAK1 Q2M2I8 12/20 0.47
BRAF P15056 1/20 0.42
TNNI3K Q59H18 1/20 0.42

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
SCHEMBL9903974 0.88 EGFR (0.64) EGFRERBB2AAK1
SCHEMBL9903999 0.88 EGFR (0.64) EGFRERBB2AAK1BRAFTNNI3K
SCHEMBL13471653 0.87 EGFR (0.51) EGFRERBB2AAK1BRAFTNNI3K
SCHEMBL9904053 0.86 EGFR (0.65) EGFRERBB2AAK1
SCHEMBL9904064 0.86 AAK1 (0.65) EGFRERBB2AAK1BRAFTNNI3K
SCHEMBL9943133 0.85 EGFR (0.47) EGFRERBB2AAK1
SCHEMBL9943144 0.85 BRAF (0.45) EGFRERBB2BRAFTNNI3K
SCHEMBL9943134 0.85 EGFR (0.46) EGFRERBB2AAK1
SCHEMBL9928315 0.83 EGFR (0.53) EGFRERBB2AAK1
SCHEMBL9943138 0.81 BRAF (0.40) EGFRERBB2BRAFTNNI3K

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2/4885ERBB2 1/4885AAK1 709/4885

“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.