SCHEMBL1106507

SCHEMBL1106507

CC(C)c1cccn(C(C)C)c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.49
FAAH O00519 2/20 0.40
MGLL Q99685 1/20 0.40
GABRA1 P14867 3/20 0.37
GABRB2 P47870 2/20 0.37
LMNA P02545 2/20 0.37
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
GABRB1 P18505 1/20 0.37
PTGS1 P23219 1/20 0.37
SLC6A2 P23975 1/20 0.37
HTR2C P28335 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 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
SCHEMBL21476018 0.82 PTGS2 (0.45) PTGS2FAAHMGLLLMNA
SCHEMBL15131097 0.81 PTGS2 (0.44) PTGS2FAAHMGLLGABRA1GABRB2
SCHEMBL19539301 0.80 PTGS2 (0.35) PTGS2
SCHEMBL13145784 0.77 FAAH (0.41) PTGS2FAAHMGLLGABRA1GABRB2
SCHEMBL1106452 0.77 PTGS2 (0.39) PTGS2MGLLLMNACA2CYP1A2
SCHEMBL18368383 0.76 TSHR (0.36) PTGS2FAAHMGLLGABRA1GABRB2
SCHEMBL23029070 0.75 FAAH (0.40) PTGS2FAAHMGLLGABRA1GABRB2
SCHEMBL10883824 0.75 DAO (0.42) PTGS2FAAHMGLLGABRA1GABRB2
SCHEMBL21764022 0.75 FAAH (0.40) PTGS2FAAHMGLLGABRA1GABRB2
SCHEMBL9453847 0.75 PTGS2 (0.41) PTGS2GABRA1GABRB2LMNACA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220002308-A1 AROMATIC RING-LINKED DIOXINO-QUINAZOLINE OR DIOXINO-QUINOLINE COMPOUNDS, COMPOSITIONS AND USE THEREOF BEIJING SCITECH-MQ PHARMACEUTICALS LIMITED (CN) 2022-01-06 US disclosed
US-10966985-B2 Macrocyclic compounds as ROS1 kinase inhibitors ARRAY BIOPHARMA INC. (US) 2021-04-06 US disclosed
WO-2021022061-A1 ARYL HYDROCARBON RECEPTOR ACTIVATORS OREGON STATE UNIVERSITY (US) 2021-02-04 WO disclosed
US-20200385386-A1 MACROCYCLIC COMPOUNDS AS TRK KINASE INHIBITORS AND USES THEREOF ANGEX PHARMACEUTICAL, INC. 2020-12-10 US disclosed
US-20200291026-A1 MACROCYCLIC COMPOUNDS AS TRK KINASE INHIBITORS ARRAY BIOPHARMA INC. 2020-09-17 US disclosed
US-10647711-B2 Azepin-2-one derivatives as RSV inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2020-05-12 US disclosed
US-10647730-B2 Macrocyclic compounds as TRK kinase inhibitors ARRAY BIOPHARMA INC. (US) 2020-05-12 US disclosed
US-20190151322-A1 MACROCYCLIC COMPOUNDS AS ROS1 KINASE INHIBITORS ARRAY BIOPHARMA INC. 2019-05-23 US disclosed
US-20190152968-A1 AZEPIN-2-ONE DERIVATIVES AS RSV INHIBITORS ENANTA PHARMACEUTICALS, INC. 2019-05-23 US disclosed
US-20190031684-A1 MACROCYCLIC COMPOUNDS AS TRK KINASE INHIBITORS ARRAY BIOPHARMA INC. 2019-01-31 US disclosed
US-20110313156-A1 HETEROCYCLYL CARBONIC ACID AMIDES AS ANTIPROLIFERATIVE AGENTS, PDKL INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US disclosed
US-20110313156-A1 HETEROCYCLYL CARBONIC ACID AMIDES AS ANTIPROLIFERATIVE AGENTS, PDKL INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US disclosed
US-20100234352-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2010-09-16 US disclosed
US-20100234352-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2010-09-16 US disclosed
US-20100183513-A1 N-(METHYL) -1H-PYRAZOL-3-AMINE, N-(METHYL)-PYRIDIN-2-AMINE AND N-(METHYL)-THIAZOL-2-AMINE DERIVATIVES FOR THE TREATMENT OF DISEASES ASSOCIATED WITH AMYLOID OR AMYLOID-LIKE PROTEINS, LIKE E.G. ALZHEIMER'S AC IMMUNE SA (CH) 2010-07-22 US disclosed
US-7696352-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-04-13 US disclosed
US-20090298806-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2009-12-03 US disclosed
US-7521470-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-04-21 US disclosed
US-20070185092-A1 FACTOR Xa INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-08-09 US disclosed
US-20070185092-A1 FACTOR Xa INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-08-09 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 (14 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-20070185092-A1 FACTOR Xa INHIBITORS TFPI, F12, F11 PTGS2 885/4885FAAH 498/4885MGLL 1572/4885
US-20200291026-A1 MACROCYCLIC COMPOUNDS AS TRK KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K3 PTGS2 3317/4885FAAH 3962/4885MGLL 4023/4885
US-20190031684-A1 MACROCYCLIC COMPOUNDS AS TRK KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K3 PTGS2 2850/4885FAAH 3865/4885MGLL 4092/4885
US-20100183513-A1 N-(METHYL) -1H-PYRAZOL-3-AMINE, N-(METHYL)-PYRIDIN-2-AMINE AND N-(METHYL)-THIAZOL-2-AMINE DERIVATIVES FOR THE TREATMENT OF DISEASES ASSOCIATED WITH AMYLOID OR AMYLOID-LIKE PROTEINS, LIKE E.G. ALZHEIMER'S PSEN2, APP, PSEN1 PTGS2 162/4885FAAH 3124/4885MGLL 3303/4885
US-20200385386-A1 MACROCYCLIC COMPOUNDS AS TRK KINASE INHIBITORS AND USES THEREOF MAP3K20, PNCK, CDC42BPG PTGS2 4633/4885FAAH 4342/4885MGLL 2834/4885
US-20090298806-A1 FACTOR XA INHIBITORS TFPI, F12, F11 PTGS2 1023/4885FAAH 392/4885MGLL 1868/4885
US-20190152968-A1 AZEPIN-2-ONE DERIVATIVES AS RSV INHIBITORS AZI2, FURIN, ACE2 PTGS2 579/4885FAAH 1801/4885MGLL 3583/4885
US-20110313156-A1 HETEROCYCLYL CARBONIC ACID AMIDES AS ANTIPROLIFERATIVE AGENTS, PDKL INHIBITORS PDK2, PDK4, CCNH PTGS2 2235/4885FAAH 1271/4885MGLL 892/4885
US-10966985-B2 Macrocyclic compounds as ROS1 kinase inhibitors ROS1, MAP3K1, MAP3K19 PTGS2 3452/4885FAAH 4847/4885MGLL 4590/4885
US-20220002308-A1 AROMATIC RING-LINKED DIOXINO-QUINAZOLINE OR DIOXINO-QUINOLINE COMPOUNDS, COMPOSITIONS AND USE THEREOF MERTK, AXL, TYRO3 PTGS2 3905/4885FAAH 3219/4885MGLL 3631/4885
US-10647711-B2 Azepin-2-one derivatives as RSV inhibitors AZI2, FURIN, ACE2 PTGS2 579/4885FAAH 1801/4885MGLL 3583/4885
US-20100234352-A1 FACTOR XA INHIBITORS TFPI, F12, F11 PTGS2 885/4885FAAH 498/4885MGLL 1572/4885
US-10647730-B2 Macrocyclic compounds as TRK kinase inhibitors MAP3K20, MAP3K1, MAP3K3 PTGS2 2850/4885FAAH 3865/4885MGLL 4092/4885
US-20190151322-A1 MACROCYCLIC COMPOUNDS AS ROS1 KINASE INHIBITORS ROS1, MAP3K1, MAP3K19 PTGS2 3452/4885FAAH 4847/4885MGLL 4590/4885

“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.