SCHEMBL9928279

SCHEMBL9928279

CC1CCN(Cc2c[nH]c3ncnc(Nc4ccc5occc5c4)c23)CC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 3/20 0.39
EGFR P00533 4/20 0.38
ERBB2 P04626 3/20 0.38
MERTK Q12866 6/20 0.38
MET P08581 4/20 0.38
AXL P30530 4/20 0.38
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
BRAF P15056 1/20 0.36
TNNI3K Q59H18 1/20 0.36
KDM4E B2RXH2 1/20 0.36
AAK1 Q2M2I8 2/20 0.36
FLT1 P17948 1/20 0.36
PRKD1 Q15139 1/20 0.35
ROCK2 O75116 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
SCHEMBL9928260 0.92 EGFR (0.44) EGFRERBB2AAK1
SCHEMBL9928298 0.87 BRAF (0.36) LRRK2EGFRERBB2BRAFTNNI3K
SCHEMBL9928319 0.86 TTBK1 (0.42) EGFRERBB2BRAFTNNI3KPRKD1
SCHEMBL9896500 0.85 EGFR (0.44) EGFRERBB2METAAK1FLT1
SCHEMBL9896515 0.85 EGFR (0.44) EGFRERBB2METAAK1FLT1
SCHEMBL9896506 0.85 EGFR (0.44) EGFRERBB2METAAK1FLT1
SCHEMBL9898642 0.83 AAK1 (0.48) LRRK2EGFRERBB2AAK1
SCHEMBL9928293 0.83 ERBB2 (0.44) EGFRERBB2DRD2DRD4DRD3
SCHEMBL9928300 0.83 KDR (0.34) EGFRERBB2MERTKAXLBRAF
SCHEMBL9928322 0.83 KDR (0.34) EGFRERBB2MERTKAXLBRAF

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 LRRK2 458/4885EGFR 2/4885ERBB2 1/4885

“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.