SCHEMBL8020133

SCHEMBL8020133

CC(C)C(=O)c1cccnc1F

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 2/20 0.61
KDM4E B2RXH2 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
TSHR P16473 2/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
BLM P54132 1/20 0.40
AGER Q15109 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
P2RX7 Q99572 1/20 0.39
NPC1 O15118 2/20 0.38
MEN1 O00255 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
DHODH Q02127 1/20 0.37

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
SCHEMBL2416419 0.86 NAPRT (0.58) NAPRTKDM4ETDP1L3MBTL1ALDH1A1
SCHEMBL12343759 0.83 NAPRT (0.54) NAPRTKDM4ETDP1L3MBTL1ALDH1A1
SCHEMBL28456543 0.81 NAPRT (0.56) NAPRTKDM4ETDP1L3MBTL1ALDH1A1
SCHEMBL9944381 0.81 NAPRT (0.56) NAPRTKDM4EL3MBTL1ALDH1A1MAPT
SCHEMBL24450936 0.79 KDM4E (0.42) NAPRTKDM4ETDP1L3MBTL1ALDH1A1
SCHEMBL8019973 0.79 P2RX7 (0.56) NAPRTKDM4ETDP1L3MBTL1ALDH1A1
SCHEMBL4406065 0.79 NAPRT (0.58) NAPRTKDM4ETDP1L3MBTL1ALDH1A1
SCHEMBL1811012 0.79 NAPRT (0.68) NAPRTKDM4ETDP1L3MBTL1ALDH1A1
SCHEMBL7371975 0.78 NAPRT (0.53) NAPRTL3MBTL1ALDH1A1MAPTTSHR
SCHEMBL18557492 0.78 NAPRT (0.49) NAPRTKDM4EL3MBTL1ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240024490-A1 BIFUNCTIONAL MOLECULES FOR SELECTIVE MODIFICATION OF TARGET SUBSTRATES THE BROAD INSTITUTE, INC. 2024-01-25 US disclosed
US-20240024490-A1 BIFUNCTIONAL MOLECULES FOR SELECTIVE MODIFICATION OF TARGET SUBSTRATES THE BROAD INSTITUTE, INC. 2024-01-25 US disclosed
US-20230192904-A1 BIFUNCTIONAL CHIMERIC MOLECULES FOR LABELING OF KINASES WITH TARGET BINDING MOIETIES AND METHODS OF USE THEREOF THE BROAD INSTITUTE, INC. 2023-06-22 US disclosed
US-20230192904-A1 BIFUNCTIONAL CHIMERIC MOLECULES FOR LABELING OF KINASES WITH TARGET BINDING MOIETIES AND METHODS OF USE THEREOF THE BROAD INSTITUTE, INC. 2023-06-22 US disclosed
US-20220162209-A1 SALICYL-ADENOSINEMONOSULFAMATE ANALOGS AND USES THEREOF MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2022-05-26 US disclosed
US-20210244736-A1 Methods for Treating Cancer Using Pyrimidine and Pyridine Compounds with BTK Inhibitory Activity MERCK PATENT GMBH (DE) 2021-08-12 US disclosed
US-20200206224-A1 Methods for Treating Cancer Using Pyrimidine and Pyridine Compounds with BTK Inhibitory Activity MERCK PATENT GMBH (DE) 2020-07-02 US disclosed
US-10413562-B2 Compositions and methods for the production of pyrimidine and pyridine compounds with BTK inhibitory activity MERCK PATENT GMBH (DE) 2019-09-17 US disclosed
US-10016448-B2 Compositions and methods for the production of pyrimidine and pyridine compounds with BTK inhibitory activity MERCK PATENT GMBH (DE) 2018-07-10 US disclosed
US-10016448-B2 Compositions and methods for the production of pyrimidine and pyridine compounds with BTK inhibitory activity MERCK PATENT GMBH (DE) 2018-07-10 US disclosed
US-9073947-B2 Compositions and methods for the production of pyrimidine and pyridine compounds with BTK inhibitory activity MERCK PATENT GMBH (DE) 2015-07-07 US disclosed
US-8962551-B2 Quinoxalinyl derivatives ENANTA PHARMACEUTICALS, INC. (US) 2015-02-24 US disclosed
US-20140162983-A1 Compositions and Methods for the Production of Pyrimidine and Pyridine Compounds with BTK Inhibitory Activity MERCK PATENT GMBH (DE) 2014-06-12 US disclosed
US-8268777-B2 Oximyl macrocyclic derivatives ENANTA PHARMACEUTICALS, INC. (US) 2012-09-18 US disclosed
US-8268777-B2 Oximyl macrocyclic derivatives ENANTA PHARMACEUTICALS, INC. (US) 2012-09-18 US disclosed
US-20090191153-A1 OXIMYL MACROCYCLIC DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2009-07-30 US disclosed
US-20090180981-A1 QUINOXALINYL DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2009-07-16 US disclosed
US-20090180981-A1 QUINOXALINYL DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2009-07-16 US disclosed
WO-2009073713-A1 OXIMYL MACROCYCLIC DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2009-06-11 WO disclosed
WO-2009073719-A1 QUINOXALINYL DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2009-06-11 WO 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-20090180981-A1 QUINOXALINYL DERIVATIVES SQOR, ATG4A, NQO1 NAPRT 988/4885KDM4E 683/4885TDP1 2694/4885
US-10016448-B2 Compositions and methods for the production of pyrimidine and pyridine compounds with BTK inhibitory activity BTK, SYK, LCK NAPRT 1276/4885KDM4E 654/4885TDP1 284/4885
US-20200206224-A1 Methods for Treating Cancer Using Pyrimidine and Pyridine Compounds with BTK Inhibitory Activity BTK, SYK, LCK NAPRT 406/4885KDM4E 515/4885TDP1 332/4885
US-20220162209-A1 SALICYL-ADENOSINEMONOSULFAMATE ANALOGS AND USES THEREOF ADSL, SLC35B2, ADORA1 NAPRT 147/4885KDM4E 4057/4885TDP1 1054/4885
US-20140162983-A1 Compositions and Methods for the Production of Pyrimidine and Pyridine Compounds with BTK Inhibitory Activity BTK, SYK, LCK NAPRT 1276/4885KDM4E 654/4885TDP1 284/4885
US-10413562-B2 Compositions and methods for the production of pyrimidine and pyridine compounds with BTK inhibitory activity BTK, SYK, LCK NAPRT 1276/4885KDM4E 654/4885TDP1 284/4885
US-20240024490-A1 BIFUNCTIONAL MOLECULES FOR SELECTIVE MODIFICATION OF TARGET SUBSTRATES COASY, JMJD7, PTMS NAPRT 694/4885KDM4E 2788/4885TDP1 1264/4885
US-20230192904-A1 BIFUNCTIONAL CHIMERIC MOLECULES FOR LABELING OF KINASES WITH TARGET BINDING MOIETIES AND METHODS OF USE THEREOF ERBB2, ACP1, TK1 NAPRT 2446/4885KDM4E 2301/4885TDP1 2231/4885
US-20090191153-A1 OXIMYL MACROCYCLIC DERIVATIVES CYP3A4, CYP4A22, HCCS NAPRT 2242/4885KDM4E 890/4885TDP1 3329/4885
US-20210244736-A1 Methods for Treating Cancer Using Pyrimidine and Pyridine Compounds with BTK Inhibitory Activity BTK, SYK, LCK NAPRT 406/4885KDM4E 515/4885TDP1 332/4885

“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.