SCHEMBL1289852

SCHEMBL1289852

OCCNc1nc(-c2ccc(Oc3ccc(F)cc3)cc2)c2ccccc2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 17/20 1.00
KDM4E B2RXH2 2/20 0.70
ALDH1A1 P00352 2/20 0.70
HPGD P15428 2/20 0.70
GLA P06280 1/20 0.70
GAA P10253 1/20 0.70
MAPK1 P28482 1/20 0.53
CASP1 P29466 1/20 0.53
RAB9A P51151 1/20 0.53
CASP7 P55210 1/20 0.53
HSD17B10 Q99714 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53

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
SCHEMBL1289804 0.89 SCN9A (0.80) SCN9AKDM4EALDH1A1HPGDGLA
SCHEMBL27906842 0.88 SCN9A (0.79) SCN9AKDM4EALDH1A1HPGDGLA
SCHEMBL1289837 0.86 SCN9A (1.00) SCN9AKDM4EALDH1A1HPGDGLA
SCHEMBL1684021 0.85 SCN9A (1.00) SCN9AKDM4EALDH1A1HPGDGLA
SCHEMBL1289766 0.84 SCN9A (1.00) SCN9AKDM4EALDH1A1HPGDGLA
SCHEMBL1289734 0.84 SCN9A (1.00) SCN9AKDM4EALDH1A1HPGDGLA
SCHEMBL1289735 0.84 SCN9A (1.00) SCN9AKDM4EALDH1A1HPGDGLA
SCHEMBL1289795 0.83 SCN9A (0.71) SCN9AKDM4EALDH1A1GAA
SCHEMBL1289768 0.83 SCN9A (1.00) SCN9A
SCHEMBL1289695 0.82 SCN9A (1.00) SCN9A

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 26 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
CN-103168033-A Quinazoline compounds as sodium channel blockers PURDUE PHARMA LP 2013-06-19 CN 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
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
CN-103168033-A Quinazoline compounds as sodium channel blockers PURDUE PHARMA LP 2013-06-19 CN disclosed
WO-2012046132-A1 QUINAZOLINE COMPOUNDS AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. (US) 2012-04-12 WO 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 59/4885KDM4E 1470/4885ALDH1A1 774/4885
US-20150250789-A1 QUINAZOLINE COMPOUNDS AS SODIUM CHANNEL BLOCKERS SCN4A, TRPV1, SCN1B SCN9A 59/4885KDM4E 1470/4885ALDH1A1 774/4885

“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.