SCHEMBL5115940

SCHEMBL5115940

CCc1ccnc(CO)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.55
NOS1 P29475 1/20 0.55
NOS2 P35228 1/20 0.55
RECQL P46063 1/20 0.45
CYP1A2 P05177 2/20 0.43
POLB P06746 1/20 0.43
TRPA1 O75762 1/20 0.40
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
SMYD3 Q9H7B4 1/20 0.38
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
TYMS P04818 1/20 0.37
RIOK2 Q9BVS4 1/20 0.37
CSNK1D P48730 1/20 0.37
CSNK1E P49674 1/20 0.37
PKM P14618 1/20 0.36
CDC7 O00311 1/20 0.35

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
SCHEMBL218290 0.84 NOS3 (0.61) NOS3NOS1NOS2CYP1A2POLB
SCHEMBL13541414 0.84 RECQL (0.61) NOS3NOS1NOS2RECQLTSHR
SCHEMBL5102581 0.83 KDM4E (0.47) NOS3NOS1NOS2RECQLCYP1A2
SCHEMBL6637337 0.83 NOS3 (0.52) NOS3NOS1NOS2RECQLCYP1A2
SCHEMBL2935815 0.83 RECQL (0.55) NOS3NOS1NOS2RECQLCYP1A2
SCHEMBL11563922 0.82 NOS3 (0.59) NOS3NOS1NOS2CYP1A2POLB
SCHEMBL10931502 0.80 NPC1 (0.44) RECQLCYP1A2POLBKDM4ELMNA
SCHEMBL12257115 0.79 S1PR1 (0.39) NOS3NOS1NOS2RECQLCYP1A2
SCHEMBL6639811 0.79 HRH3 (0.42) NOS3NOS1NOS2RECQLPOLB
Dimethylamine SCHEMBL7744073 0.78 NOS3 (0.55) NOS3NOS1NOS2CYP1A2POLB

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
US-20230201353-A1 SUSTAINED RELEASE DELIVERY SYSTEMS COMPRISING TRACELESS LINKERS NOVARTIS AG (CH) 2023-06-29 US disclosed
US-20230201353-A1 SUSTAINED RELEASE DELIVERY SYSTEMS COMPRISING TRACELESS LINKERS NOVARTIS AG (CH) 2023-06-29 US disclosed
US-20230149414-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. 2023-05-18 US disclosed
US-11566003-B2 Isoquinolines as inhibitors of HPK1 GENENTECH, INC. (US) 2023-01-31 US disclosed
US-11225486-B2 Tertiary alcohols as PI3K-γ inhibitors INCYTE CORPORATION (US) 2022-01-18 US disclosed
US-20200385392-A1 TERTIARY ALCOHOLS AS PI3K-y INHIBITORS INCYTE CORPORATION 2020-12-10 US disclosed
US-20200376129-A1 SUSTAINED RELEASE DELIVERY SYSTEMS COMPRISING TRACELESS LINKERS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2020-12-03 US disclosed
EP-2937344-B1 PYRIDINYL- AND PYRAZINYL -METHYLOXY - ARYL DERIVATIVES USEFUL AS INHIBITORS OF SPLEEN TYROSINE KINASE (SYK) GLAXO GROUP LTD (GB) 2017-08-23 EP disclosed
EP-2937344-B1 PYRIDINYL- AND PYRAZINYL -METHYLOXY - ARYL DERIVATIVES USEFUL AS INHIBITORS OF SPLEEN TYROSINE KINASE (SYK) GLAXO GROUP LTD (GB) 2017-08-23 EP disclosed
US-20160355505-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2016-12-08 US disclosed
US-20050124807-A1 oxidation of a hetero alcohol in presence od an 2,2,6,6-teraalkylpiperidin-1-oxy comound KOEI CHEMICAL CO., LTD. (JP) 2005-06-09 US disclosed
CN-1535958-A Alpha-substituted pyrimidine. thioalkyl and alkyl ether compound �������Ŷ���Լ��������˾ 2004-10-13 CN disclosed
EP-0824524-B1 ALPHA-SUBSTITUTED PYRIMIDINE-THIOALKYL AND ALKYLETHER COMPOUNDS AS INHIBITORS OF VIRAL REVERSE TRANSCRIPTASE UPJOHN CO (US) 2004-09-08 EP disclosed
EP-1449835-A2 Alpha-substituted pyrimidine-thioalkyl and alkylether compounds PHARMACIA & UPJOHN COMPANY (US) 2004-08-25 EP disclosed
CN-1152022-C Alpha-substituted pyrimidine-thioalkyl and alkylether compounds �������Ŷ���Լ��������˾ 2004-06-02 CN disclosed
US-6043248-A VIRICIDES FOR TREATING AN INDIVIDUAL INFECTED WITH THE HUMAN IMMUNODEFICIENCY VIRUS PHARMACIA & UPJOHN COMPANY (US) 2000-03-28 US disclosed
CN-1183773-A Alpha-substituted pyrimidine-thioalkyl and alkylether compounds UPJOHN CO (US) 1998-06-03 CN disclosed
EP-0824524-A1 ALPHA-SUBSTITUTED PYRIMIDINE-THIOALKYL AND ALKYLETHER COMPOUNDS AS INHIBITORS OF VIRAL REVERSE TRANSCRIPTASE PHARMACIA & UPJOHN COMPANY (US) 1998-02-25 EP disclosed
WO-1996035678-A1 ALPHA-SUBSTITUTED PYRIMIDINE-THIOALKYL AND ALKYLETHER COMPOUNDS AS INHIBITORS OF VIRAL REVERSE TRANSCRIPTASE PHARMACIA & UPJOHN COMPANY (US) 1996-11-14 WO disclosed
US-5521316-A FREE-FLOWING DUSTLESS POWDER FOR AGRICULTURE CYTEC TECHNOLOGY CORP. (US) 1996-05-28 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 (8 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-20230201353-A1 SUSTAINED RELEASE DELIVERY SYSTEMS COMPRISING TRACELESS LINKERS ABCB11, ABCB1, GHRHR NOS3 524/4885NOS1 620/4885NOS2 410/4885
US-20200376129-A1 SUSTAINED RELEASE DELIVERY SYSTEMS COMPRISING TRACELESS LINKERS ABCB11, ABCB1, GHRHR NOS3 524/4885NOS1 620/4885NOS2 410/4885
US-20230149414-A1 COMPOUNDS AND USES THEREOF VHL, CLN6, TFEB NOS3 4771/4885NOS1 4819/4885NOS2 4798/4885
US-20050124807-A1 oxidation of a hetero alcohol in presence od an 2,2,6,6-teraalkylpiperidin-1-oxy comound ADH1C, ADH1A, AOX1 NOS3 556/4885NOS1 416/4885NOS2 263/4885
US-20160355505-A1 NOVEL COMPOUNDS SYK, NFATC1, BTK NOS3 287/4885NOS1 156/4885NOS2 139/4885
US-11566003-B2 Isoquinolines as inhibitors of HPK1 HIPK1, HIPK2, IP6K1 NOS3 2860/4885NOS1 2809/4885NOS2 2634/4885
US-20200385392-A1 TERTIARY ALCOHOLS AS PI3K-y INHIBITORS PIK3R5, PIK3R1, PIK3CD NOS3 2187/4885NOS1 2440/4885NOS2 3019/4885
US-11225486-B2 Tertiary alcohols as PI3K-γ inhibitors PIK3R5, PIK3CG, PIK3CD NOS3 2001/4885NOS1 1930/4885NOS2 2586/4885

“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.