SCHEMBL9928260

SCHEMBL9928260

NC1CCN(Cc2c[nH]c3ncnc(Nc4ccc5occc5c4)c23)CC1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.44
ERBB2 P04626 11/20 0.44
AAK1 Q2M2I8 9/20 0.42
LCK P06239 1/20 0.42
KDR P35968 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
SCHEMBL9928279 0.92 LRRK2 (0.39) EGFRERBB2AAK1
SCHEMBL9896506 0.88 EGFR (0.44) EGFRERBB2AAK1LCKKDR
SCHEMBL9896500 0.88 EGFR (0.44) EGFRERBB2AAK1LCKKDR
SCHEMBL9896515 0.88 EGFR (0.44) EGFRERBB2AAK1LCKKDR
SCHEMBL9928298 0.86 BRAF (0.36) EGFRERBB2AAK1KDR
SCHEMBL9928319 0.85 TTBK1 (0.42) EGFRERBB2KDR
SCHEMBL9928315 0.83 EGFR (0.53) EGFRERBB2AAK1LCKKDR
SCHEMBL9904050 0.83 MKNK1 (0.50) EGFRERBB2
SCHEMBL9898642 0.82 AAK1 (0.48) EGFRERBB2AAK1
SCHEMBL9928300 0.82 KDR (0.34) EGFRERBB2KDR

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 3 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

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.