SCHEMBL4535487

SCHEMBL4535487

COc1cc(C2=NC(C3CC(C)(O)C3)=C3C=NC=C[N+]23N)ccc1Oc1cccc(F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 16/20 0.50
FFAR4 Q5NUL3 1/20 0.34
SCD O00767 1/20 0.32
SCD5 Q86SK9 1/20 0.32
CYP2C19 P33261 1/20 0.31
CDC7 O00311 1/20 0.31
DYRK3 O43781 1/20 0.31
ROCK2 O75116 1/20 0.31
PRKD3 O94806 1/20 0.31
MAP4K4 O95819 1/20 0.31
CDK1 P06493 1/20 0.31
PIM1 P11309 1/20 0.31
PRKACA P17612 1/20 0.31
CDK2 P24941 1/20 0.31
FLT4 P35916 1/20 0.31
KDR P35968 1/20 0.31
FRK P42685 1/20 0.31
CSNK1A1 P48729 1/20 0.31
CSNK1D P48730 1/20 0.31
CLK2 P49760 1/20 0.31

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
SCHEMBL4368093 0.91 TNK2 (0.49) TNK2CYP2C19
SCHEMBL4360608 0.91 TNK2 (0.47) TNK2CYP2C19
SCHEMBL4356228 0.85 TNK2 (0.48) TNK2CYP2C19
SCHEMBL4359553 0.84 TNK2 (0.46) TNK2
SCHEMBL1129605 0.82 TNK2 (0.46) TNK2CYP2C19
SCHEMBL4361722 0.82 TNK2 (0.46) TNK2
SCHEMBL13504940 0.82 TNK2 (0.46) TNK2CYP2C19
SCHEMBL4358944 0.82 TNK2 (0.48) TNK2CYP2C19
SCHEMBL4361590 0.79 TNK2 (0.44) TNK2
SCHEMBL4364176 0.78 TNK2 (0.48) TNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8481733-B2 Substituted imidazopyr- and imidazotri-azines OSI Pharmaceuticals, LLC (US) 2013-07-09 US claimed
EP-2283020-B1 SUBSTITUTED IMIDAZOPYR-AND IMIDAZOTRI-AZINES OSI PHARM INC (US) 2012-10-31 EP claimed
US-8481733-B2 Substituted imidazopyr- and imidazotri-azines OSI Pharmaceuticals, LLC (US) 2013-07-09 US disclosed
US-20090286768-A1 SUBSTITUTED IMIDAZOPYR- AND IMIDAZOTRI-AZINES OSI PHARMACEUTICALS, INC. (US) 2009-11-19 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-20090286768-A1 SUBSTITUTED IMIDAZOPYR- AND IMIDAZOTRI-AZINES ABL1, TPMT, CYP2C19 TNK2 2837/4885FFAR4 1054/4885SCD 4722/4885

“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.