SCHEMBL4072413

SCHEMBL4072413

Nc1snc2cccnc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.42
MAPT P10636 5/20 0.39
KDM4E B2RXH2 4/20 0.39
HIF1A Q16665 3/20 0.39
HSD17B10 Q99714 2/20 0.39
HSP90AA1 P07900 6/20 0.38
LMNA P02545 4/20 0.38
HTT P42858 3/20 0.38
TP53 P04637 2/20 0.38
TSHR P16473 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GMNN O75496 1/20 0.38
MMP2 P08253 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
MMP9 P14780 1/20 0.38
ALOX15 P16050 1/20 0.38
NFKB1 P19838 1/20 0.38
MMP8 P22894 1/20 0.38
CCR1 P32246 1/20 0.38

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
SCHEMBL21139553 0.77 KDM4E (0.39) PRMT5MAPTKDM4EHIF1AHSD17B10
SCHEMBL23495082 0.75 KDM4E (0.38) PRMT5MAPTKDM4EHIF1AHSP90AA1
SCHEMBL4069439 0.75 HSP90AA1 (0.43) PRMT5MAPTKDM4EHIF1AHSP90AA1
SCHEMBL15935231 0.71 HSP90AA1 (0.35) PRMT5MAPTKDM4EHIF1AHSP90AA1
SCHEMBL16417612 0.71 POLB (0.36) PRMT5MAPTKDM4EHIF1AHSP90AA1
SCHEMBL15070855 0.71 HSP90AA1 (0.35) PRMT5MAPTKDM4EHIF1AHSP90AA1
SCHEMBL18878959 0.71 POLB (0.36) PRMT5MAPTKDM4EHIF1AHSP90AA1
SCHEMBL16346223 0.70 CYP2A6 (0.48) CYP3A4CYP2D6ALDH1A1LIMK1MEN1
SCHEMBL23495057 0.69 KDM4E (0.40) MAPTKDM4EHSD17B10LMNAHTT
SCHEMBL16346174 0.67 GAK (0.53) MAPTKDM4ECLK1CASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9822127-B2 GAK modulators as antivirals THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2017-11-21 US disclosed
US-20170152271-A1 GAK MODULATORS AS ANTIVIRALS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2017-06-01 US disclosed
US-20170145009-A1 HETEROCYCLIC COMPOUNDS THAT INHIBIT THE KINASE ACTIVITY OF MNK USEFUL FOR TREATING VARIOUS CANCERS EFFECTOR THERAPEUTICS, INC. 2017-05-25 US disclosed
US-9518066-B2 GAK modulators KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2016-12-13 US disclosed
EP-3016958-A1 NOVEL GAK MODULATORS Katholieke Universiteit Leuven (BE) 2016-05-11 EP disclosed
US-20160122364-A1 NOVEL GAK MODULATORS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2016-05-05 US disclosed
WO-2016012536-A1 GAK MODULATORS AS ANTIVIRALS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2016-01-28 WO disclosed
WO-2015001076-A1 NOVEL GAK MODULATORS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2015-01-08 WO disclosed
EP-1381366-B9 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC AMIDOPIPERAZINE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2009-10-21 EP disclosed
EP-1381366-B1 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC AMIDOPIPERAZINE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2009-04-22 EP disclosed
EP-1381366-A4 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC AMIDOPIPERAZINE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2005-02-16 EP disclosed
US-6825201-B2 ANTIVIRAL ACTIVITY; TREATMENT OF HIV AND AIDS BRISTOL-MYERS SQUIBB COMPANY 2004-11-30 US disclosed
EP-1381366-A2 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC AMIDOPIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2004-01-21 EP disclosed
US-20030096825-A1 Indole, azaindole and related heterocyclic amidopiperazine derivatives VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2003-05-22 US disclosed
WO-2002085301-A2 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC AMIDOPIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-10-31 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 (4 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-20160122364-A1 NOVEL GAK MODULATORS GAK, CAMKK2, GRK3 PRMT5 2994/4885MAPT 616/4885KDM4E 2604/4885
US-20170152271-A1 GAK MODULATORS AS ANTIVIRALS GAK, IRF3, EIF2AK2 PRMT5 3512/4885MAPT 3237/4885KDM4E 2152/4885
US-20030096825-A1 Indole, azaindole and related heterocyclic amidopiperazine derivatives IDO1, IDO2, INMT PRMT5 134/4885MAPT 2614/4885KDM4E 1873/4885
US-20170145009-A1 HETEROCYCLIC COMPOUNDS THAT INHIBIT THE KINASE ACTIVITY OF MNK USEFUL FOR TREATING VARIOUS CANCERS MAP3K9, MAP3K19, MAP3K20 PRMT5 726/4885MAPT 2303/4885KDM4E 1316/4885

“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.