SCHEMBL4274356

SCHEMBL4274356

COc1c(Cl)cccc1-c1nn(C)c2nc(N)ncc12

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.43
FGFR1 P11362 1/20 0.43
SRC P12931 1/20 0.43
FGFR2 P21802 1/20 0.43
FGFR4 P22455 1/20 0.43
FGFR3 P22607 1/20 0.43
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
PKM P14618 1/20 0.39
RAB9A P51151 1/20 0.39
TLR7 Q9NYK1 5/20 0.38
TLR9 Q9NR96 5/20 0.38
TLR8 Q9NR97 5/20 0.38
PDE10A Q9Y233 3/20 0.38
PDE2A O00408 2/20 0.38
CCR4 P51679 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
ADORA2A P29274 1/20 0.37
ADORA1 P30542 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
SCHEMBL4234137 0.87 TLR7 (0.44) EGFRSRCTLR7TLR9TLR8
SCHEMBL4264419 0.83 TLR7 (0.41) EGFRSRCTLR7TLR9TLR8
SCHEMBL4230072 0.78 CYP1A2 (0.41) KDM4ETLR7TLR9TLR8
SCHEMBL4232788 0.78 SUV39H2 (0.43) EGFRFGFR1SRCFGFR2FGFR4
SCHEMBL4225661 0.77 RECQL (0.44) KDM4ETLR7TLR9TLR8ADORA2A
SCHEMBL4274358 0.77 HSP90AA1 (0.46) EGFRFGFR1SRCFGFR2FGFR4
SCHEMBL4050303 0.77 TLR7 (0.43) EGFRSRCTLR7TLR9TLR8
SCHEMBL4215652 0.76 MTOR (0.39) EGFRSRCKDM4ENPC1RAB9A
SCHEMBL4227399 0.75 TLR7 (0.41) EGFRFGFR1SRCFGFR2FGFR4
SCHEMBL4228176 0.75 TLR7 (0.44) FGFR1FGFR2FGFR4FGFR3TLR7

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-20090131457-A1 Pyrazolo [3,4-D] Pyrimidine Derivatives Useful to Treat Respiratory Disorders NOVARTIS AG (CH) 2009-05-21 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-20090131457-A1 Pyrazolo [3,4-D] Pyrimidine Derivatives Useful to Treat Respiratory Disorders PIK3CA, JAK3, PDK1 EGFR 1469/4885FGFR1 233/4885SRC 892/4885

“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.