SCHEMBL2629347

SCHEMBL2629347

CC(=O)Nc1ccn(C)n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.64
HTT P42858 2/20 0.64
ALDH1A1 P00352 2/20 0.64
LMNA P02545 2/20 0.64
KDM4E B2RXH2 1/20 0.64
NPC1 O15118 6/20 0.60
RAB9A P51151 5/20 0.60
MAPT P10636 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
TSHR P16473 1/20 0.57
HSD17B10 Q99714 1/20 0.57
NOTUM Q6P988 1/20 0.49
MAPK1 P28482 1/20 0.48
MAP4K4 O95819 1/20 0.47
ABL1 P00519 1/20 0.47
MAPK8 P45983 1/20 0.47
CSNK1A1 P48729 1/20 0.47
CDK7 P50613 1/20 0.47
TYRO3 Q06418 1/20 0.47
LRRK2 Q5S007 1/20 0.47

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
Hydrochloric Acid SCHEMBL18131819 0.98 SMN1; SMN2 (0.62) SMN1; SMN2HTTALDH1A1LMNAKDM4E
SCHEMBL18421576 0.84 NPC1 (0.65) SMN1; SMN2HTTALDH1A1LMNAKDM4E
SCHEMBL5629836 0.82 SMN1; SMN2 (0.62) SMN1; SMN2HTTALDH1A1LMNAKDM4E
SCHEMBL12444121 0.82 SMN1; SMN2 (0.62) SMN1; SMN2HTTALDH1A1LMNAKDM4E
SCHEMBL19781551 0.81 SMN1; SMN2 (0.60) SMN1; SMN2HTTALDH1A1LMNAKDM4E
SCHEMBL10289302 0.81 NPC1 (0.62) SMN1; SMN2HTTALDH1A1LMNAKDM4E
SCHEMBL8368020 0.80 MAPK1 (0.62) SMN1; SMN2HTTALDH1A1LMNAKDM4E
SCHEMBL25143476 0.80 NPC1 (0.53) SMN1; SMN2HTTALDH1A1LMNAKDM4E
SCHEMBL1106972 0.79 SMN1; SMN2 (0.58) SMN1; SMN2HTTALDH1A1LMNAKDM4E
SCHEMBL12599392 0.79 SMN1; SMN2 (0.58) SMN1; SMN2HTTALDH1A1LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250270209-A1 LRRK2 INHIBITORS INTERLINE THERAPEUTICS, INC. 2025-08-28 US disclosed
WO-2024030651-A1 GPX4 INHIBITORS AND USE THEREOF SONATA THERAPEUTICS, INC. (US) 2024-02-08 WO disclosed
WO-2023224963-A1 DUAL-ACTING ANGIOTENSIN AND ENDOTHELIN RECEPTOR ANTAGONISTS ARIA PHARMACEUTICALS, INC. (US) 2023-11-23 WO 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
WO-2023036140-A1 3CLPRO PROTEASE INHIBITOR 上海齐鲁制药研究中心有限公司 2023-03-16 WO disclosed
WO-2023016521-A1 SUBSTITUTED TRIAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF 上海赛默罗生物科技有限公司 2023-02-16 WO disclosed
US-20230026856-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF SPARCBIO LLC 2023-01-26 US disclosed
CN-115568473-A Use of alkoxypyrazoles as nitrification inhibitors 巴斯夫欧洲公司 2023-01-06 CN disclosed
CN-111683529-B Use of alkoxypyrazoles as nitrification inhibitors 巴斯夫欧洲公司 2022-10-14 CN disclosed
US-10829484-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2020-11-10 US disclosed
US-20110059953-A1 COMPOUNDS FOR USE IN STABILIZING P53 MUTANTS MEDICAL RESEARCH COUNCIL (GB) 2011-03-10 US 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
US-20100093752-A1 PHARMACEUTICAL FORMULATIONS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-04-15 US disclosed
US-7662823-B2 Pharmaceutical formulations of substituted azaindoleoxoacetic piperazine derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-16 US disclosed
US-20090306095-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY 2009-12-10 US disclosed
US-7501420-B2 Composition and antiviral of substituted azaindoleoxoacetic piperazine derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 2009-03-10 US disclosed
US-20080125439-A1 DIAZAINDOLE-DICARBONYL-PIPERAZINYL ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY 2008-05-29 US disclosed
US-20080119480-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY 2008-05-22 US disclosed
US-7354924-B2 Composition and antiviral activity of substituted azaindoleoxoacetic piperazine derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 2008-04-08 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 (9 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-20100093752-A1 PHARMACEUTICAL FORMULATIONS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS PREP, PEPD, DNPEP SMN1; SMN2 4747/4885HTT 3234/4885ALDH1A1 1175/4885
US-20080125439-A1 DIAZAINDOLE-DICARBONYL-PIPERAZINYL ANTIVIRAL AGENTS ZC3HAV1, ZC3HAV1L, EIF2AK2 SMN1; SMN2 4486/4885HTT 4738/4885ALDH1A1 2394/4885
US-20110059953-A1 COMPOUNDS FOR USE IN STABILIZING P53 MUTANTS TP53, TP53BP1, MDM2 SMN1; SMN2 3355/4885HTT 1086/4885ALDH1A1 3561/4885
US-20090306095-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES ITPA, IDO1, IDO2 SMN1; SMN2 4726/4885HTT 3152/4885ALDH1A1 1360/4885
US-20080119480-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES ITPA, IDO1, IDO2 SMN1; SMN2 4726/4885HTT 3152/4885ALDH1A1 1360/4885
US-20250270209-A1 LRRK2 INHIBITORS LRRK2, PARK7, PINK1 SMN1; SMN2 766/4885HTT 259/4885ALDH1A1 2142/4885
US-20230026856-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS SMN1; SMN2 2473/4885HTT 432/4885ALDH1A1 2350/4885
US-20230174540-A1 3-(Carboxymethyl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, PKD2 SMN1; SMN2 490/4885HTT 2780/4885ALDH1A1 256/4885
US-10829484-B2 Compounds and methods for kinase modulation, and indications therefor MAP3K11, PRKAR2B, MAP3K13 SMN1; SMN2 2111/4885HTT 3099/4885ALDH1A1 4034/4885

“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.