SCHEMBL805929

SCHEMBL805929

N#Cc1cc(NCCCn2ccnc2)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 6/20 1.00
KDM4E B2RXH2 5/20 0.55
ALDH1A1 P00352 5/20 0.55
TSHR P16473 1/20 0.53
CACNA1B Q00975 3/20 0.51
HPGD P15428 4/20 0.51
HSD17B10 Q99714 2/20 0.51
MEN1 O00255 1/20 0.51
TP53 P04637 1/20 0.51
KMT2A Q03164 1/20 0.51
QPCT Q16769 3/20 0.49
GAA P10253 3/20 0.45
MAPT P10636 2/20 0.45
HTT P42858 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
NPC1 O15118 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45

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
SCHEMBL787132 0.83 SCN9A (1.00) SCN9AKDM4EALDH1A1CACNA1BHPGD
SCHEMBL3630136 0.73 ALDH1A1 (0.62) SCN9AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL21236963 0.73 SCN9A (0.68) SCN9A
SCHEMBL3631137 0.72 SCN9A (0.56) SCN9AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL3631421 0.71 GSK3A (0.60) SCN9AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL3630627 0.71 QPCT (0.56) SCN9AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL1289853 0.71 SCN9A (1.00) SCN9AALDH1A1QPCTSMN1; SMN2
SCHEMBL3631371 0.69 SMN1; SMN2 (0.60) SCN9AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL3627950 0.67 QPCT (0.54) SCN9AKDM4EALDH1A1TSHRHPGD
SCHEMBL805982 0.67 SCN9A (0.64) SCN9AKDM4EALDH1A1HPGDMEN1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2616441-B1 PYRIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA LP (US) 2019-08-07 EP disclosed
US-9611222-B2 Pyridine compounds and the uses thereof PURDUE PHARMA L.P. (US) 2017-04-04 US disclosed
US-20150259293-A1 PYRIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA L.P. 2015-09-17 US disclosed
US-20150259293-A1 PYRIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA L.P. 2015-09-17 US disclosed
US-9056832-B2 Pyridine compounds and the users thereof PURDUE PHARMA L.P. (US) 2015-06-16 US disclosed
US-9056832-B2 Pyridine compounds and the users thereof PURDUE PHARMA L.P. (US) 2015-06-16 US disclosed
US-20130303526-A1 Pyridine Compounds and the Uses Thereof PURDUE PHARMA L.P. (US) 2013-11-14 US disclosed
US-20130303526-A1 Pyridine Compounds and the Uses Thereof PURDUE PHARMA L.P. (US) 2013-11-14 US disclosed
WO-2012035421-A2 PYRIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA L.P. (US) 2012-03-22 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-20150259293-A1 PYRIDINE COMPOUNDS AND THE USES THEREOF TRPV1, CACNA1A, KCNA1 SCN9A 148/4885KDM4E 1781/4885ALDH1A1 172/4885
US-20130303526-A1 Pyridine Compounds and the Uses Thereof TRPV1, CACNA1A, KCNA1 SCN9A 148/4885KDM4E 1781/4885ALDH1A1 172/4885

“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.