SCHEMBL4935602

SCHEMBL4935602

Nc1cccc(Nc2ncc(F)c(Nc3cccc(N)c3)n2)c1.[H+]

nearest known ligand 0.97

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 14/20 0.97
AURKA O14965 6/20 0.70
KDR P35968 2/20 0.70
ITK Q08881 2/20 0.68
PLK4 O00444 1/20 0.68
PDPK1 O15530 1/20 0.68
JAK2 O60674 1/20 0.68
PRKD3 O94806 1/20 0.68
MAP4K4 O95819 1/20 0.68
NTRK1 P04629 1/20 0.68
INSR P06213 1/20 0.68
LCK P06239 1/20 0.68
FYN P06241 1/20 0.68
CDK1 P06493 1/20 0.68
FES P07332 1/20 0.68
CSF1R P07333 1/20 0.68
LYN P07948 1/20 0.68
IGF1R P08069 1/20 0.68
ROS1 P08922 1/20 0.68
FGFR1 P11362 1/20 0.68

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
Hydrochloric Acid SCHEMBL653396 0.99 SYK (0.94) SYKAURKAKDRITKPLK4
SCHEMBL31294266 0.98 SYK (1.00) SYKAURKAKDRITKPLK4
SCHEMBL656171 0.98 SYK (1.00) SYKAURKAKDRITKPLK4
Hydrochloric Acid SCHEMBL653397 0.97 SYK (0.97) SYKAURKAKDRITKPLK4
SCHEMBL13498408 0.92 SYK (0.87) SYKAURKAKDRITKPLK4
SCHEMBL657334 0.91 SYK (0.87) SYKAURKAMAPK8AURKB
SCHEMBL12518332 0.91 AURKA (0.87) SYKAURKAKDRITKPLK4
SCHEMBL656495 0.91 SYK (0.87) SYKAURKAMAPK8AURKB
SCHEMBL13166449 0.86 SYK (0.77) SYKAURKAKDRITKPLK4
SCHEMBL27631652 0.86 SYK (0.77) SYKAURKAKDRITKPLK4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080039622-A1 Inhibiting the immunoglobulin (Ig) IgE and/or IgG receptor using R940343, N4-[(2,2-Difluoro-4H-benzo[1,4]oxazin-3-one)-6-yl]-5-fluoro-N2-[3-(methylaminocarbonylmethyleneoxy)phenyl]-2,4-pyrimidinediamine; treating allergic and inflammatory diseases; syk kinase inhibitors RIGEL PHARMACEUTICALS, INC. 2008-02-14 US claimed
US-20060058292-A1 N4-[2,2-difluoro-4H-benzo[1,4]oxazin-3-one)-6-yl]-5-fluoro-N2-[3-(methylaminocarbonylmethyleneoxy)phenyl]-2,4-pyrimidinediamine; inhibit the immunoglobulins IgE or IgG receptor signaling cascades in mast, basophil cells; antiallergen, antiinflammatory agent; asthma, osteoarthritis MIDCAP FINANCIAL TRUST 2006-03-16 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20060058292-A1 N4-[2,2-difluoro-4H-benzo[1,4]oxazin-3-one)-6-yl]-5-fluoro-N2-[3-(methylaminocarbonylmethyleneoxy)phenyl]-2,4-pyrimidinediamine; inhibit the immunoglobulins IgE or IgG receptor signaling cascades in mast, basophil cells; antiallergen, antiinflammatory agent; asthma, osteoarthritis FCER2, FCGR1A, HRH4 SYK 36/4885AURKA 533/4885KDR 547/4885
US-20080039622-A1 Inhibiting the immunoglobulin (Ig) IgE and/or IgG receptor using R940343, N4-[(2,2-Difluoro-4H-benzo[1,4]oxazin-3-one)-6-yl]-5-fluoro-N2-[3-(methylaminocarbonylmethyleneoxy)phenyl]-2,4-pyrimidinediamine; treating allergic and inflammatory diseases; syk kinase inhibitors FCER2, FCGR1A, FCGR2A SYK 4/4885AURKA 240/4885KDR 155/4885

“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.