SCHEMBL3262016

SCHEMBL3262016

CC(=O)Nc1cncnc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.52
BCAT2 O15382 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
HTT P42858 1/20 0.48
NAPRT Q6XQN6 1/20 0.48
HSD17B10 Q99714 1/20 0.48
KMT2A Q03164 7/20 0.46
MEN1 O00255 4/20 0.46
MAPT P10636 3/20 0.46
TSHR P16473 2/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
CA12 O43570 1/20 0.46
BRD4 O60885 1/20 0.46
NR1I2 O75469 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
MB P02144 1/20 0.46
CYP1A1 P04798 1/20 0.46

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
SCHEMBL13165650 0.81 LMNA (0.52) TDP1SMN1; SMN2L3MBTL1HTTNAPRT
SCHEMBL30339454 0.80 SMN1; SMN2 (0.70) TDP1SMN1; SMN2L3MBTL1HTTNAPRT
SCHEMBL1933239 0.78 BCAT2 (0.59) BCAT2ALDH1A1LMNARAB9AKDM4E
SCHEMBL2951328 0.78 SMN1; SMN2 (0.58) SMN1; SMN2KMT2AALDH1A1
SCHEMBL17037048 0.77 BCAT2 (0.48) BCAT2SMN1; SMN2KMT2AMAPTALDH1A1
SCHEMBL28152116 0.77 SMN1; SMN2 (0.50) BCAT2SMN1; SMN2HTTHSD17B10KMT2A
SCHEMBL17082818 0.76 BCAT2 (0.42) BCAT2LMNARAB9ANPC1HCAR2
SCHEMBL1431302 0.76 BCAT2 (0.52) BCAT2HSD17B10KMT2AMEN1MAPT
SCHEMBL15381280 0.76 BCAT2 (0.42) BCAT2LMNARAB9ANPC1HCAR2
SCHEMBL12662969 0.76 L3MBTL1 (0.59) BCAT2SMN1; SMN2L3MBTL1MAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111526877-B Compounds and compositions for IRE1 inhibition 奥普提卡拉公司 2023-08-25 CN claimed
EP-3675858-B1 IMIDAZO[1,5-A]PYRAZINE COMPOUNDS AND COMPOSITIONS FOR IRE1 INHIBITION OPTIKIRA LLC (US) 2023-04-26 EP claimed
WO-2016124553-A1 2-PHENYL-3H-IMIDAZO[4,5-B]PYRIDINE DERIVATES USEFUL AS INHIBITORS OF MAMMALIAN TYROSINE KINASE ROR1 ACTIVITY KANCERA AB (SE) 2016-08-11 WO claimed
CN-117597122-A Fatty Acid Amide Hydrolase (FAAH) cleavable prodrugs of thyromimetics and combinations with peripherally restricted FAAH inhibitors 速通医疗公司 2024-02-23 CN disclosed
WO-2023215801-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. (US) 2023-11-09 WO disclosed
CN-111526877-B Compounds and compositions for IRE1 inhibition 奥普提卡拉公司 2023-08-25 CN disclosed
US-20230174540-A1 3-(Carboxymethyl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives GRUENENTHAL GMBH (DE) 2023-06-08 US disclosed
US-20230097678-A1 NEW MACROCYCLIC COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2023-03-30 US disclosed
CN-115151538-A Macrocyclic compounds, process for their preparation and pharmaceutical compositions containing them 法国施维雅药厂 2022-10-04 CN disclosed
EP-3433250-B1 HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2021-09-08 EP disclosed
EP-3795568-A1 FLUORINATED LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF Pharmakea, Inc. (US) 2021-03-24 EP disclosed
US-7902204-B2 2-(4-Benzoyl-piperazin-1-yl)-3-(4-chloro-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-3-oxo-propionitrile; HIV and AIDS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-08 US disclosed
EP-1751161-B1 DIAZAINDOLE-DICARBONYL-PIPERAZINYL ANTIVIRAL AGENTS BRISTOL MYERS SQUIBB CO (US) 2010-07-14 EP disclosed
CN-1930134-B Use of pyrimidine compounds for the preparation of parasiticides NOVARTIS AG 2010-06-16 CN disclosed
WO-2010051497-A1 FILAMIN A BINDING ANTI-INFLAMMATORY AND ANALGESIC PAIN THERAPEUTICS, INC. (US) 2010-05-06 WO disclosed
WO-2010051476-A1 FILAMIN A-BINDING ANTI-INFLAMMATORY ANALGESIC PAIN THERAPEUTICS, INC. (US) 2010-05-06 WO disclosed
WO-2009138707-A9 QUINUCLIDINE DERIVATIVES AS MUSCARINIC M3 RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2010-01-28 WO disclosed
US-20080125439-A1 DIAZAINDOLE-DICARBONYL-PIPERAZINYL ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY 2008-05-29 US disclosed
CN-1930134-A Use of pyrimidine compounds for the preparation of parasiticides NOVARTIS AG (CH) 2007-03-14 CN disclosed
US-7160877-B2 Aliphatic nitrogen-containing 5-membered ring compound TANABE SEIYAKU CO., LTD. (JP) 2007-01-09 US 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 (3 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-20080125439-A1 DIAZAINDOLE-DICARBONYL-PIPERAZINYL ANTIVIRAL AGENTS ZC3HAV1, ZC3HAV1L, EIF2AK2 TDP1 3320/4885BCAT2 1173/4885SMN1; SMN2 4486/4885
US-20230097678-A1 NEW MACROCYCLIC COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM C1S, C1R, F12 TDP1 4642/4885BCAT2 2265/4885SMN1; SMN2 3435/4885
US-20230174540-A1 3-(Carboxymethyl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, PKD2 TDP1 2069/4885BCAT2 814/4885SMN1; SMN2 490/4885

“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.