SCHEMBL9928290

SCHEMBL9928290

CC1CCN(Cc2c[nH]c3ncnc(Nc4cc(F)c(F)c(F)c4)c23)CC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 2/20 0.39
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
EGFR P00533 6/20 0.38
ERBB2 P04626 6/20 0.38
LCK P06239 1/20 0.37
KDR P35968 1/20 0.37
LRRK2 Q5S007 3/20 0.37
BRAF P15056 2/20 0.37
TNNI3K Q59H18 2/20 0.37
IRAK4 Q9NWZ3 2/20 0.36
JAK3 P52333 2/20 0.35
MET P08581 1/20 0.35

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
SCHEMBL9903987 0.91 ERBB2 (0.46) EGFRERBB2LCKKDRMET
SCHEMBL9928294 0.86 EGFR (0.38) MERTKDRD2DRD4DRD3EGFR
SCHEMBL9928280 0.85 EGFR (0.54) EGFRERBB2LCKKDR
SCHEMBL9928293 0.82 ERBB2 (0.44) DRD2DRD4DRD3EGFRERBB2
SCHEMBL9897577 0.82 AAK1 (0.52) JAK3
SCHEMBL9928282 0.81 EGFR (0.53) EGFRERBB2LRRK2BRAFTNNI3K
SCHEMBL9928291 0.81 EGFR (0.53) EGFRERBB2KDRBRAFTNNI3K
SCHEMBL9928303 0.81 TTBK1 (0.45) MERTKDRD4DRD3EGFRERBB2
SCHEMBL9928289 0.81 AXL (0.39) MERTKDRD2DRD4DRD3EGFR
SCHEMBL9928288 0.79 EGFR (0.55) EGFRERBB2KDRLRRK2BRAF

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 MERTK 810/4885DRD2 870/4885DRD4 644/4885

“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.