SCHEMBL9898706

SCHEMBL9898706

OCc1c[nH]c2ncnc(Nc3ccc4occc4c3)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 4/20 0.43
ALK Q9UM73 1/20 0.43
ROCK2 O75116 3/20 0.41
MAP4K4 O95819 3/20 0.41
PRKACA P17612 3/20 0.41
CDK2 P24941 3/20 0.41
GSK3B P49841 3/20 0.41
CLK4 Q9HAZ1 3/20 0.41
IRAK4 Q9NWZ3 3/20 0.41
HIPK2 Q9H2X6 2/20 0.41
PIM1 P11309 1/20 0.41
BRAF P15056 7/20 0.40
TNNI3K Q59H18 7/20 0.40
PRKD1 Q15139 1/20 0.39
KDR P35968 4/20 0.39
RPS6KB1 P23443 3/20 0.37
AURKA O14965 2/20 0.37
CHUK O15111 2/20 0.35
PDPK1 O15530 2/20 0.35
DYRK3 O43781 2/20 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
SCHEMBL9928272 0.89 BRAF (0.45) CDC7ALKROCK2MAP4K4PRKACA
SCHEMBL9928260 0.80 EGFR (0.44) KDRLCKERBB2
SCHEMBL9928279 0.79 LRRK2 (0.39) ROCK2BRAFTNNI3KPRKD1AXL
SCHEMBL9928298 0.79 BRAF (0.36) CDC7ALKROCK2MAP4K4PRKACA
SCHEMBL16968171 0.79 MKNK1 (0.60) CDC7MAPKAPK2ERBB2MKNK1
SCHEMBL9928319 0.79 TTBK1 (0.42) CDC7ALKROCK2BRAFTNNI3K
SCHEMBL9896506 0.78 EGFR (0.44) CDC7ALKROCK2PRKACACDK2
SCHEMBL9896515 0.78 EGFR (0.44) CDC7ALKROCK2PRKACACDK2
SCHEMBL9896500 0.78 EGFR (0.44) CDC7ALKROCK2PRKACACDK2
SCHEMBL9896599 0.77 JAK3 (0.55) JAK3JAK2

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 5 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
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
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 CDC7 2003/4885ALK 16/4885ROCK2 2964/4885

“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.