SCHEMBL20091003

SCHEMBL20091003

CCOc1nnc(C(F)(F)F)cc1C(C)C

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.33
GRM5 P41594 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
CRHBP P24387 1/20 0.33
CYP2C19 P33261 1/20 0.33
CRHR2 Q13324 1/20 0.33
TRPV1 Q8NER1 1/20 0.31
PDE1A P54750 1/20 0.31
PDE1B Q01064 1/20 0.31
PDE1C Q14123 1/20 0.31
PDE2A O00408 1/20 0.30

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
SCHEMBL20091075 0.85 IRAK4 (0.33) IRAK4GRM5
SCHEMBL17808288 0.85 HMGCR (0.32)
SCHEMBL17813819 0.75 ALDH1A1 (0.34) GRM5CYP3A4CYP2D6TSHRCYP2C19
SCHEMBL18699147 0.75 ELANE (0.32)
SCHEMBL20091065 0.73 NPSR1 (0.43) CYP3A4CYP2C19
SCHEMBL25278232 0.70 PDE2A (0.36) PDE2A
SCHEMBL17808317 0.69
SCHEMBL23970861 0.69 CYP3A4 (0.39) CYP3A4CYP2D6TSHRCRHBPCYP2C19
SCHEMBL17808315 0.67 ALDH1A1 (0.32) CYP2C19
SCHEMBL21030492 0.66 MALT1 (0.33) PDE1APDE1BPDE1C

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-10421751-B2 Dihydro-2H-benzo[b][1,4]oxazine sulfonamide and related compounds for use as agonists of RORγ and the treatment of disease LYCERA CORPORATION (US) 2019-09-24 US disclosed
US-20180111922-A1 DIHYDRO-2H-BENZO[b][1,4]OXAZINE SULFONAMIDE AND RELATED COMPOUNDS FOR USE AS AGONISTS OF RORy AND THE TREATEMENT OF DISEASE LYCERA CORPORATION 2018-04-26 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 (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-20180111922-A1 DIHYDRO-2H-BENZO[b][1,4]OXAZINE SULFONAMIDE AND RELATED COMPOUNDS FOR USE AS AGONISTS OF RORy AND THE TREATEMENT OF DISEASE RORB, RORA, RORC IRAK4 112/4885GRM5 218/4885CYP3A4 502/4885
US-10421751-B2 Dihydro-2H-benzo[b][1,4]oxazine sulfonamide and related compounds for use as agonists of RORγ and the treatment of disease RORB, RORA, RORC IRAK4 86/4885GRM5 259/4885CYP3A4 444/4885

“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.