SCHEMBL1289808

SCHEMBL1289808

CCOC(=O)c1nc(-c2ccc(Oc3ccccc3)cc2)c2ccccc2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 3/20 1.00
▸ TP53 P04637 1/20 0.55
▸ PDK1 Q15118 1/20 0.54
▸ SMN1; SMN2 Q16637 4/20 0.53
▸ MEN1 O00255 3/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ GAA P10253 3/20 0.53
▸ MAPT P10636 3/20 0.53
▸ NPSR1 Q6W5P4 2/20 0.53
▸ NPY1R P25929 1/20 0.53
▸ NPY2R P49146 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ GPR55 Q9Y2T6 1/20 0.53
▸ DHODH Q02127 1/20 0.51
▸ KDM4E B2RXH2 3/20 0.51
▸ ALDH1A1 P00352 3/20 0.51
▸ POLB P06746 2/20 0.51
▸ HPGD P15428 2/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51

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
SCHEMBL8069465 0.90 SCN9A (0.81) SCN9APDK1SMN1; SMN2MEN1KMT2A
SCHEMBL1289752 0.83 SCN9A (0.80) SCN9ADHODH
SCHEMBL1289867 0.81 SCN9A (1.00) SCN9APDK1DHODH
SCHEMBL10249474 0.77 POLB (0.64) SCN9ATP53SMN1; SMN2MEN1KMT2A
SCHEMBL255848 0.76 MAPT (0.62) SCN9ATP53SMN1; SMN2MEN1KMT2A
SCHEMBL15347069 0.75 SCN9A (0.60) SCN9ADHODH
SCHEMBL161315 0.75 SMN1; SMN2 (0.61) SCN9ATP53SMN1; SMN2MEN1KMT2A
SCHEMBL1919885 0.73 ALDH1A1 (0.61) SCN9AMEN1KMT2ADHODHALDH1A1
SCHEMBL27906841 0.73 SCN9A (0.57) SCN9A
SCHEMBL16699392 0.73 MAPT (0.67) SCN9ATP53SMN1; SMN2MEN1KMT2A

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9168255-B2 Quinazoline compounds as sodium channel blockers PURDUE PHARMA L.P. (US) 2015-10-27 — — US claimed
US-20150250789-A1 QUINAZOLINE COMPOUNDS AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. 2015-09-10 — — US claimed
US-9045435-B2 Quinazoline compounds as sodium channel blockers PURDUE PHARMA, L.P. (US) 2015-06-02 — — US claimed
EP-2625169-B1 QUINAZOLINE COMPOUNDS AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA LP (US) 2015-03-25 — — EP claimed
US-20130289044-A1 Quinazoline Compounds as Sodium Channel Blockers PURDUE PHARMA L.P. (US) 2013-10-31 — — US claimed
EP-2625169-A1 QUINAZOLINE COMPOUNDS AS SODIUM CHANNEL BLOCKERS Purdue Pharma L.P. (US) 2013-08-14 — — EP claimed
WO-2012046132-A1 QUINAZOLINE COMPOUNDS AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. (US) 2012-04-12 — — WO claimed
US-9168255-B2 Quinazoline compounds as sodium channel blockers PURDUE PHARMA L.P. (US) 2015-10-27 — — US disclosed
US-9168255-B2 Quinazoline compounds as sodium channel blockers PURDUE PHARMA L.P. (US) 2015-10-27 — — US disclosed
US-9168255-B2 Quinazoline compounds as sodium channel blockers PURDUE PHARMA L.P. (US) 2015-10-27 — — US disclosed
US-20150250789-A1 QUINAZOLINE COMPOUNDS AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. 2015-09-10 — — US disclosed
US-20150250789-A1 QUINAZOLINE COMPOUNDS AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. 2015-09-10 — — US disclosed
US-20150250789-A1 QUINAZOLINE COMPOUNDS AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. 2015-09-10 — — US disclosed
EP-2625169-B1 QUINAZOLINE COMPOUNDS AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA LP (US) 2015-03-25 — — EP disclosed
EP-2625169-B1 QUINAZOLINE COMPOUNDS AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA LP (US) 2015-03-25 — — EP disclosed
US-20130289044-A1 Quinazoline Compounds as Sodium Channel Blockers PURDUE PHARMA L.P. (US) 2013-10-31 — — US disclosed
US-20130289044-A1 Quinazoline Compounds as Sodium Channel Blockers PURDUE PHARMA L.P. (US) 2013-10-31 — — US disclosed
US-20130289044-A1 Quinazoline Compounds as Sodium Channel Blockers PURDUE PHARMA L.P. (US) 2013-10-31 — — US disclosed
EP-2625169-A1 QUINAZOLINE COMPOUNDS AS SODIUM CHANNEL BLOCKERS Purdue Pharma L.P. (US) 2013-08-14 — — EP disclosed
WO-2012046132-A1 QUINAZOLINE COMPOUNDS AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. (US) 2012-04-12 — — 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 (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-20130289044-A1 Quinazoline Compounds as Sodium Channel Blockers SCN4A, TRPV1, SCN1B SCN9A 59/4885TP53 3285/4885PDK1 4061/4885
US-20150250789-A1 QUINAZOLINE COMPOUNDS AS SODIUM CHANNEL BLOCKERS SCN4A, TRPV1, SCN1B SCN9A 59/4885TP53 3285/4885PDK1 4061/4885

“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.

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