SCHEMBL823534

SCHEMBL823534

CC(C)c1nnc(-c2ccccc2)o1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.65
GAA P10253 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
NPC1 O15118 11/20 0.61
RAB9A P51151 11/20 0.61
SMN1; SMN2 Q16637 6/20 0.61
HPGD P15428 6/20 0.55
POLB P06746 3/20 0.55
NFKB1 P19838 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
NOTUM Q6P988 4/20 0.52
ATAD2 Q6PL18 1/20 0.52
MAPT P10636 2/20 0.51
TSHR P16473 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
KDM4E B2RXH2 2/20 0.49
GLA P06280 1/20 0.48
ALOX15 P16050 1/20 0.48

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
SCHEMBL12306749 0.85 ALDH1A1 (0.49) ALDH1A1GAAL3MBTL1NPC1RAB9A
SCHEMBL12306754 0.85 AAK1 (0.50) ALDH1A1GAAL3MBTL1NPC1RAB9A
SCHEMBL12721771 0.84 ALDH1A1 (0.49) ALDH1A1GAAL3MBTL1NPC1RAB9A
SCHEMBL12126066 0.82 NOTUM (0.53) ALDH1A1GAAL3MBTL1NPC1RAB9A
SCHEMBL11965504 0.82 NPC1 (0.58) ALDH1A1GAAL3MBTL1NPC1RAB9A
SCHEMBL26288191 0.82 PKM (0.63) ALDH1A1GAAL3MBTL1NPC1RAB9A
SCHEMBL1437104 0.82 ALDH1A1 (0.57) ALDH1A1GAAL3MBTL1NPC1RAB9A
SCHEMBL17278353 0.82 ALDH1A1 (0.62) ALDH1A1GAAL3MBTL1NPC1RAB9A
SCHEMBL6979305 0.81 NPC1 (0.55) ALDH1A1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL17516265 0.81 NPC1 (0.64) ALDH1A1GAAL3MBTL1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119431269-A Method for synthesizing 1,3, 4-oxadiazole compound from 1, 2-dihydrazide compound 浙江工业大学 2025-02-14 CN disclosed
US-20240025879-A1 PYRIDAZINONE COMPOUNDS AND USES THEREOF EDGEWISE THERAPEUTICS, INC. 2024-01-25 US disclosed
US-20240025879-A1 PYRIDAZINONE COMPOUNDS AND USES THEREOF EDGEWISE THERAPEUTICS, INC. 2024-01-25 US disclosed
US-11873290-B2 2024-01-16 US disclosed
US-20230348369-A1 NAMPT MODULATORS CYTOKINETICS, INC. 2023-11-02 US disclosed
US-20230339980-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS AGIOS PHARMACEUTICALS, INC. (US) 2023-10-26 US disclosed
US-20230339980-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS AGIOS PHARMACEUTICALS, INC. (US) 2023-10-26 US disclosed
EP-4248973-A2 PYRIDAZINONE COMPOUNDS AND USES THEREOF EDGEWISE THERAPEUTICS, INC. (US) 2023-09-27 EP disclosed
EP-3877376-B1 PYRIDAZINONE COMPOUNDS AND USES THEREOF EDGEWISE THERAPEUTICS INC (US) 2023-08-23 EP disclosed
WO-2022266368-A1 PROTEASE INHIBITORS AND METHODS OF USE THE CLEVELAND CLINIC FOUNDATION (US) 2022-12-22 WO disclosed
US-20120083513-A1 3-Substituted-8-Substituted-3H-Imidazo[5,1-d][1,2,3,5]tetrazin-4-one Compounds and Their Use PHARMINOX LIMITED (GB) 2012-04-05 US disclosed
US-8143268-B2 Bicyclic pyrimidinones and uses thereof AVEXA LIMITED (AU) 2012-03-27 US disclosed
US-8143268-B2 Bicyclic pyrimidinones and uses thereof AVEXA LIMITED (AU) 2012-03-27 US disclosed
US-20120040020-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-16 US disclosed
US-20100168063-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF AVEXA LIMITED (AU) 2010-07-01 US disclosed
US-20100168063-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF AVEXA LIMITED (AU) 2010-07-01 US disclosed
US-20080200475-A1 4-Piperazinothieno[2,3-D] Pyrimidine Compounds As Platelet Aggregation Inhibitors PFIZER INC. 2008-08-21 US disclosed
US-20080200475-A1 4-Piperazinothieno[2,3-D] Pyrimidine Compounds As Platelet Aggregation Inhibitors PFIZER INC. 2008-08-21 US disclosed
US-20080194590-A1 4-Piperazinylthieno [2,3-D] Pyrimidine Compounds as Platelet Aggregation Inhibitors PFIZER INC 2008-08-14 US disclosed
US-20080176857-A1 4-Piperazinnylthieno[2,3-d]Pyrimidine Compounds as Platelet Aggregation Inhibitors PFIZER INC. 2008-07-24 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 (10 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-20120083513-A1 3-Substituted-8-Substituted-3H-Imidazo[5,1-d][1,2,3,5]tetrazin-4-one Compounds and Their Use MKI67, CCNA1, CCNI ALDH1A1 74/4885GAA 1141/4885L3MBTL1 3064/4885
US-20100168063-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF TPMT, TYMP, DPYD ALDH1A1 337/4885GAA 564/4885L3MBTL1 4479/4885
US-20080176857-A1 4-Piperazinnylthieno[2,3-d]Pyrimidine Compounds as Platelet Aggregation Inhibitors TBXA2R, P2RY4, PF4 ALDH1A1 622/4885GAA 3876/4885L3MBTL1 3954/4885
US-20080194590-A1 4-Piperazinylthieno [2,3-D] Pyrimidine Compounds as Platelet Aggregation Inhibitors PFKP, PF4, P2RY4 ALDH1A1 1204/4885GAA 3333/4885L3MBTL1 4026/4885
US-20230348369-A1 NAMPT MODULATORS NAMPT, NNT, NAPRT ALDH1A1 982/4885GAA 1993/4885L3MBTL1 3643/4885
US-11873290-B2 IL6, MUSK, IL6ST ALDH1A1 190/4885GAA 137/4885L3MBTL1 4149/4885
US-20120040020-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK2, CHEK1 ALDH1A1 3958/4885GAA 1567/4885L3MBTL1 1055/4885
US-20080200475-A1 4-Piperazinothieno[2,3-D] Pyrimidine Compounds As Platelet Aggregation Inhibitors PF4, TBXA2R, P2RY4 ALDH1A1 849/4885GAA 3146/4885L3MBTL1 3994/4885
US-20230339980-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS PAH, KDM8, PHF8 ALDH1A1 865/4885GAA 728/4885L3MBTL1 68/4885
US-20240025879-A1 PYRIDAZINONE COMPOUNDS AND USES THEREOF IL6, IL1B, IL1A ALDH1A1 270/4885GAA 263/4885L3MBTL1 4133/4885

“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.