SCHEMBL9928272

SCHEMBL9928272

CCc1c[nH]c2ncnc(Nc3ccc4occc4c3)c12

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRAF P15056 10/20 0.45
TNNI3K Q59H18 10/20 0.45
IRAK4 Q9NWZ3 2/20 0.42
KDR P35968 2/20 0.41
PRKD1 Q15139 1/20 0.39
TRPA1 O75762 1/20 0.39
CDC7 O00311 2/20 0.39
ROCK2 O75116 2/20 0.39
MAP4K4 O95819 1/20 0.39
PIM1 P11309 1/20 0.39
PRKACA P17612 1/20 0.39
CDK2 P24941 1/20 0.39
GSK3B P49841 1/20 0.39
HIPK2 Q9H2X6 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
ALK Q9UM73 1/20 0.39
EGFR P00533 1/20 0.38
JAK3 P52333 1/20 0.36

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
SCHEMBL9898706 0.89 CDC7 (0.43) BRAFTNNI3KIRAK4KDRPRKD1
SCHEMBL9896599 0.84 JAK3 (0.55) JAK3
Hydrochloric Acid SCHEMBL9896597 0.83 JAK3 (0.55) JAK3
SCHEMBL9928298 0.81 BRAF (0.36) BRAFTNNI3KIRAK4KDRPRKD1
SCHEMBL9928279 0.81 LRRK2 (0.39) BRAFTNNI3KPRKD1ROCK2EGFR
SCHEMBL9928319 0.81 TTBK1 (0.42) BRAFTNNI3KKDRPRKD1CDC7
SCHEMBL9928260 0.80 EGFR (0.44) KDREGFR
SCHEMBL16963582 0.79 MKNK1 (0.60) CDC7EGFRJAK3
SCHEMBL13471645 0.78 PRKD1 (0.37) BRAFTNNI3KIRAK4KDRPRKD1
SCHEMBL9928300 0.77 KDR (0.34) BRAFTNNI3KKDRPRKD1CDC7

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 BRAF 131/4885TNNI3K 372/4885IRAK4 1112/4885

“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.