SCHEMBL16845409

SCHEMBL16845409

COC(=O)c1cc(C)nc(-c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)n1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 16/20 0.54
FPR2 P25090 8/20 0.54
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.45
ADORA3 P0DMS8 1/20 0.44

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
SCHEMBL18234085 0.86 SCN9A (0.53) SCN9AFPR2LMNAMAPTADORA3
SCHEMBL16845408 0.84 SCN9A (0.58) SCN9AFPR2LMNA
SCHEMBL21944871 0.82 ADORA3 (0.60) SCN9AFPR2MAPTADORA3
SCHEMBL16158907 0.81 SCN9A (0.80) SCN9AFPR2
SCHEMBL6394758 0.77 LMNA (0.51) LMNAMAPT
SCHEMBL985111 0.76 LMNA (0.54) LMNAMAPT
SCHEMBL1782842 0.74 LMNA (0.69) LMNAMAPT
SCHEMBL19956170 0.74 SCN9A (0.76) SCN9AFPR2
SCHEMBL2616101 0.74 LMNA (0.50) LMNAMAPTADORA3
SCHEMBL19286915 0.74 SCN9A (0.53) SCN9AFPR2

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
EP-3083606-B1 PYRIMIDINES AND USE THEREOF PURDUE PHARMA LP (US) 2020-10-28 EP disclosed
US-9745287-B2 Pyrimidines and use thereof PURDUE PHARMA L.P. (US) 2017-08-29 US disclosed
US-20160332992-A1 PYRIMIDINES AND USE THEREOF PURDUE PHARMA L.P. 2016-11-17 US disclosed
WO-2015094443-A1 PYRIMIDINES AND USE THEREOF PURDUE PHARMA L.P. (US) 2015-06-25 WO 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-20160332992-A1 PYRIMIDINES AND USE THEREOF ADORA2B, P2RX2, P2RX3 SCN9A 236/4885FPR2 486/4885LMNA 1924/4885

“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.