SCHEMBL828257

SCHEMBL828257

Cc1ccnc(NC(C)C)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.59
KDM4E B2RXH2 5/20 0.51
ALDH1A1 P00352 4/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
NOS2 P35228 2/20 0.47
UHRF1 Q96T88 1/20 0.46
CCR1 P32246 1/20 0.46
CCR5 P51681 1/20 0.46
CCR8 P51685 1/20 0.46
MAPK14 Q16539 2/20 0.46
KMT2A Q03164 3/20 0.45
POLB P06746 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 2/20 0.45
MAPT P10636 2/20 0.44
TRPM8 Q7Z2W7 1/20 0.44
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
MAPK10 P53779 1/20 0.43
HRH4 Q9H3N8 1/20 0.43

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
SCHEMBL29851369 1.00 FDPS (0.59) FDPSKDM4EALDH1A1L3MBTL1NOS2
SCHEMBL828253 0.86 FDPS (0.57) FDPSKDM4EALDH1A1L3MBTL1NOS2
SCHEMBL22511537 0.84 FDPS (0.60) FDPSKDM4EALDH1A1L3MBTL1NOS2
SCHEMBL828256 0.81 FDPS (0.53) FDPSKDM4EALDH1A1L3MBTL1NOS2
SCHEMBL15161288 0.80 ALDH1A1 (0.49) FDPSKDM4EALDH1A1L3MBTL1NOS2
SCHEMBL6091366 0.80 FDPS (0.55) FDPSKDM4EALDH1A1L3MBTL1NOS2
SCHEMBL18642520 0.78 FDPS (0.58) FDPSALDH1A1NOS2KMT2ASMN1; SMN2
SCHEMBL19478461 0.78 HTR7 (0.57) FDPSNOS2MAPK14
SCHEMBL18642522 0.78 FDPS (0.58) FDPSALDH1A1NOS2KMT2ASMN1; SMN2
SCHEMBL2912518 0.78 KDR (0.57) FDPSKDM4EALDH1A1L3MBTL1NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117447394-A Synthesis process of 2-isopropyl-4-methylpyridine-3-amine 苏利制药科技江阴有限公司 2024-01-26 CN disclosed
US-11787779-B2 Sulfone pyridine alkyl amide-substituted heteroaryl compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2023-10-17 US disclosed
WO-2023196975-A1 COMPOUNDS THAT INTERACT WITH RAS SUPERFAMILY PROTEINS FOR TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY THERAPEUTICS, LLC (US) 2023-10-12 WO disclosed
WO-2023093787-A1 BENZODIAZEPINE COMPOUND AND APPLICATION THEREOF AS RHO KINASE INHIBITOR 成都奥睿药业有限公司 2023-06-01 WO disclosed
US-20230159446-A1 Methods and Compositions for Targeting Tregs using CCR8 Inhibitors NANJING IMMUNOPHAGE BIOMEDICAL CO., LTD. (CN) 2023-05-25 US disclosed
US-11634425-B2 Pharmaceutical compounds PFIZER INC. (US) 2023-04-25 US disclosed
US-11352354-B2 Substituted penta-fused hexa-heterocyclic compounds, preparation method therefor, drug combination and use thereof XIAMEN UNIVERSITY (CN) 2022-06-07 US disclosed
CN-113603636-A Preparation method of Sotoraib intermediate 江苏弘和药物研发有限公司 2021-11-05 CN disclosed
CN-113354578-A Synthetic method of 2-isopropyl-3-amino-4-methylpyridine 江苏弘和药物研发有限公司 2021-09-07 CN disclosed
US-20200165246-A1 SUBSTITUTED PENTA-FUSED HEXA-HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, DRUG COMBINATION AND USE THEREOF XIAMEN UNIVERSITY (CN) 2020-05-28 US disclosed
US-20110281908-A1 Aminoquinoline Derived Heat Shock Protein 90 Inhibitors, Methods Of Preparing Same, And Methods For Their Use EMORY UNIVERSITY (US) 2011-11-17 US disclosed
US-20110269752-A1 IMIDAZO[1,2-b]PYRIDAZINE DERIVATIVES AND THEIR USE AS PDE10 INHIBITORS PASTOR-FERNANDEZ JOAQUIN 2011-11-03 US disclosed
US-20110269752-A1 IMIDAZO[1,2-b]PYRIDAZINE DERIVATIVES AND THEIR USE AS PDE10 INHIBITORS PASTOR-FERNANDEZ JOAQUIN 2011-11-03 US disclosed
WO-2011100769-A2 KINASE MODULATORS FOR THE TREATMENT OF CANCER SYNOVO GMBH (DE) 2011-08-18 WO disclosed
WO-2011051342-A1 IMIDAZO[1,2-b]PYRIDAZINE DERIVATIVES AND THEIR USE AS PDE10 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2011-05-05 WO disclosed
US-20090270462-A1 2-SULFANYL-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS SYNOVO GMBH (DE) 2009-10-29 US disclosed
US-20090270462-A1 2-SULFANYL-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS SYNOVO GMBH (DE) 2009-10-29 US disclosed
US-20090270462-A1 2-SULFANYL-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS SYNOVO GMBH (DE) 2009-10-29 US disclosed
US-7342013-B2 Benzamides and related inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-03-11 US disclosed
US-20080045521-A1 PHENYLALANINE DERIVATIVES ASTRAZENECA AB (SE) 2008-02-21 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-20080045521-A1 PHENYLALANINE DERIVATIVES ITGB5, ITGB1, ITGA2B FDPS 1525/4885KDM4E 2385/4885ALDH1A1 1037/4885
US-20230159446-A1 Methods and Compositions for Targeting Tregs using CCR8 Inhibitors CCR8, CCR1, CCR3 FDPS 2708/4885KDM4E 1941/4885ALDH1A1 2716/4885
US-11787779-B2 Sulfone pyridine alkyl amide-substituted heteroaryl compounds TYK2, JAK3, JAK2 FDPS 3989/4885KDM4E 1208/4885ALDH1A1 4424/4885
US-20090270462-A1 2-SULFANYL-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS IL2, IL2RA, IL1B FDPS 1500/4885KDM4E 3336/4885ALDH1A1 1127/4885
US-20110281908-A1 Aminoquinoline Derived Heat Shock Protein 90 Inhibitors, Methods Of Preparing Same, And Methods For Their Use HSP90AB1, HSP90AB2P, HSP90AA1 FDPS 2553/4885KDM4E 3338/4885ALDH1A1 2275/4885
US-11352354-B2 Substituted penta-fused hexa-heterocyclic compounds, preparation method therefor, drug combination and use thereof PIKFYVE, PIK3CA, PIK3C2A FDPS 1385/4885KDM4E 749/4885ALDH1A1 4780/4885
US-11634425-B2 Pharmaceutical compounds GABRA6, CHRNA6, CNR1 FDPS 3307/4885KDM4E 3774/4885ALDH1A1 3010/4885
US-20200165246-A1 SUBSTITUTED PENTA-FUSED HEXA-HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, DRUG COMBINATION AND USE THEREOF PIKFYVE, PIK3CA, PIK3C2A FDPS 1385/4885KDM4E 749/4885ALDH1A1 4780/4885
US-20110269752-A1 IMIDAZO[1,2-b]PYRIDAZINE DERIVATIVES AND THEIR USE AS PDE10 INHIBITORS PDE12, PDE10A, PDE5A FDPS 543/4885KDM4E 1454/4885ALDH1A1 484/4885

“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.