SCHEMBL9928316

SCHEMBL9928316

NC1CCN(Cc2c[nH]c3ncnc(Nc4cc(F)cc(Br)c4)c23)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGFR P00533 14/20 0.47
ERBB2 P04626 13/20 0.47
AAK1 Q2M2I8 6/20 0.42
LCK P06239 2/20 0.41
KDR P35968 2/20 0.41
PRKD3 O94806 1/20 0.37
PRKCG P05129 1/20 0.37
PRKCB P05771 1/20 0.37
CDK1 P06493 1/20 0.37
MET P08581 1/20 0.37
PRKCA P17252 1/20 0.37
PRKCH P24723 1/20 0.37
PRKCI P41743 1/20 0.37
PRKCE Q02156 1/20 0.37
PRKCQ Q04759 1/20 0.37
PRKCZ Q05513 1/20 0.37
PRKCD Q05655 1/20 0.37
PRKD1 Q15139 1/20 0.37

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
SCHEMBL9928294 0.91 EGFR (0.38) EGFRERBB2AAK1LCKKDR
SCHEMBL9943133 0.89 EGFR (0.47) EGFRERBB2AAK1LCKKDR
SCHEMBL9903987 0.86 ERBB2 (0.46) EGFRERBB2AAK1LCKKDR
SCHEMBL9903974 0.85 EGFR (0.64) EGFRERBB2AAK1
SCHEMBL9899394 0.82 AAK1 (0.48) AAK1
SCHEMBL9904088 0.80 EGFR (0.46) EGFRERBB2AAK1LCKKDR
SCHEMBL9904005 0.80 EGFR (0.65) EGFRERBB2LCKKDR
SCHEMBL9928315 0.78 EGFR (0.53) EGFRERBB2AAK1LCKKDR
SCHEMBL9903999 0.78 EGFR (0.64) EGFRERBB2AAK1LCKKDR
SCHEMBL9943059 0.78 EGFR (0.49) EGFRERBB2AAK1

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.