SCHEMBL4069439

SCHEMBL4069439

Cc1snc2cccnc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
NPC1 O15118 1/20 0.43
PRMT5 O14744 1/20 0.42
ALDH1A1 P00352 3/20 0.38
CCR1 P32246 4/20 0.38
CCR8 P51685 4/20 0.38
LMNA P02545 3/20 0.38
CCR5 P51681 3/20 0.38
KDM4E B2RXH2 2/20 0.38
HTT P42858 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
GMNN O75496 1/20 0.38
TP53 P04637 1/20 0.38
MMP2 P08253 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
MMP9 P14780 1/20 0.38
ALOX15 P16050 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) HSP90AA1L3MBTL1NPC1PRMT5ALDH1A1
SCHEMBL4072413 0.75 PRMT5 (0.42) HSP90AA1L3MBTL1NPC1PRMT5ALDH1A1
SCHEMBL23495082 0.75 KDM4E (0.38) HSP90AA1L3MBTL1NPC1PRMT5ALDH1A1
SCHEMBL15070855 0.75 HSP90AA1 (0.35) HSP90AA1L3MBTL1NPC1PRMT5ALDH1A1
SCHEMBL15935231 0.75 HSP90AA1 (0.35) HSP90AA1L3MBTL1NPC1PRMT5ALDH1A1
SCHEMBL16417612 0.75 POLB (0.36) HSP90AA1L3MBTL1NPC1PRMT5ALDH1A1
SCHEMBL18878959 0.75 POLB (0.36) HSP90AA1L3MBTL1NPC1PRMT5ALDH1A1
SCHEMBL23486193 0.72 MEN1 (0.31) MAPTMEN1KMT2A
SCHEMBL23495057 0.69 KDM4E (0.40) L3MBTL1ALDH1A1LMNAKDM4EHTT
SCHEMBL9058058 0.69 KDM4E (0.50) HSP90AA1L3MBTL1NPC1PRMT5ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3498701-B1 PRMT5 INHIBITORS AND USES THEREOF EPIZYME INC (US) 2023-02-22 EP disclosed
WO-2021110890-A1 PYRIDINIUM DERIVATIVES AS HERBICIDES SYNGENTA CROP PROTECTION AG (CH) 2021-06-10 WO disclosed
EP-2970189-B1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS INC (US) 2020-05-06 EP disclosed
EP-2935247-B1 PRMT5 INHIBITORS AND USES THEREOF EPIZYME INC (US) 2019-08-28 EP disclosed
US-10000487-B2 Heterocyclic compounds that inhibit the kinase activity of Mnk useful for treating various cancers EFFECTOR THERAPEUTICS, INC. (US) 2018-06-19 US disclosed
EP-2935243-B1 PRMT5 INHIBITORS CONTAINING A DIHYDRO- OR TETRAHYDROISOQUINOLINE AND USES THEREOF EPIZYME INC (US) 2018-03-14 EP disclosed
US-20170334861-A1 TETRAHYDRO- AND DIHYDRO-ISOQUINOLINE PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-11-23 US disclosed
US-9765068-B2 PRMT5 inhibitors and uses thereof Epizyme, Inc. (US) 2017-09-19 US disclosed
US-20170210751-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-07-27 US disclosed
US-9604930-B2 Tetrahydro- and dihydro-isoquinoline PRMT5 inhibitors and uses thereof Epizyme, Inc. (US) 2017-03-28 US disclosed
US-20130165483-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 US disclosed
US-20130165464-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 US disclosed
US-20130165472-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 US 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 (7 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-20130165472-A1 HETEROARYLS AND USES THEREOF PIK3R4, VPS4B, PIK3C2A HSP90AA1 410/4885L3MBTL1 1598/4885NPC1 330/4885
US-20130165483-A1 HETEROARYLS AND USES THEREOF PIK3R5, PIK3R4, PIK3C2B HSP90AA1 1168/4885L3MBTL1 196/4885NPC1 304/4885
US-10000487-B2 Heterocyclic compounds that inhibit the kinase activity of Mnk useful for treating various cancers MAP3K9, MAP3K19, MAP3K20 HSP90AA1 3799/4885L3MBTL1 3123/4885NPC1 4242/4885
US-20170334861-A1 TETRAHYDRO- AND DIHYDRO-ISOQUINOLINE PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT3 HSP90AA1 4331/4885L3MBTL1 1306/4885NPC1 2147/4885
US-20030096825-A1 Indole, azaindole and related heterocyclic amidopiperazine derivatives IDO1, IDO2, INMT HSP90AA1 4771/4885L3MBTL1 4731/4885NPC1 1417/4885
US-20130165464-A1 HETEROARYLS AND USES THEREOF PIK3C2B, PI4KB, PIK3R4 HSP90AA1 1599/4885L3MBTL1 866/4885NPC1 819/4885
US-20170210751-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 HSP90AA1 4737/4885L3MBTL1 802/4885NPC1 3204/4885

“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.