SCHEMBL1289837

SCHEMBL1289837

CN(C)CCCNc1nc(-c2ccc(Oc3ccc(F)cc3)cc2)c2ccccc2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 16/20 1.00
POLB P06746 1/20 0.53
RAD52 P43351 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
GLA P06280 1/20 0.51
GAA P10253 1/20 0.51
HPGD P15428 1/20 0.51
FLT3 P36888 1/20 0.50

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
SCHEMBL1684021 0.94 SCN9A (1.00) SCN9AKDM4EALDH1A1GLAGAA
SCHEMBL27906842 0.86 SCN9A (0.79) SCN9AKDM4EALDH1A1GLAGAA
SCHEMBL1289852 0.86 SCN9A (1.00) SCN9AKDM4EALDH1A1GLAGAA
SCHEMBL1289695 0.80 SCN9A (1.00) SCN9A
SCHEMBL1289853 0.79 SCN9A (1.00) SCN9AALDH1A1
SCHEMBL4821085 0.78 SCN9A (0.72) SCN9APOLBRAD52KDM4EALDH1A1
SCHEMBL1289789 0.78 SCN9A (0.81) SCN9A
SCHEMBL1289804 0.78 SCN9A (0.80) SCN9AKDM4EALDH1A1GLAGAA
SCHEMBL27906843 0.77 SCN9A (0.76) SCN9A
SCHEMBL1289795 0.77 SCN9A (0.71) SCN9AKDM4EALDH1A1GAA

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 20 patents. 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
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-9045435-B2 Quinazoline compounds as sodium channel blockers PURDUE PHARMA, L.P. (US) 2015-06-02 US disclosed
US-9045435-B2 Quinazoline compounds as sodium channel blockers PURDUE PHARMA, L.P. (US) 2015-06-02 US disclosed
US-9045435-B2 Quinazoline compounds as sodium channel blockers PURDUE PHARMA, L.P. (US) 2015-06-02 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
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 59/4885POLB 4778/4885RAD52 4733/4885
US-20150250789-A1 QUINAZOLINE COMPOUNDS AS SODIUM CHANNEL BLOCKERS SCN4A, TRPV1, SCN1B SCN9A 59/4885POLB 4778/4885RAD52 4733/4885

“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.