SCHEMBL7124973

SCHEMBL7124973

CCc1nccc(C)c1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 5/20 0.48
NOS3 P29474 4/20 0.48
CCR1 P32246 3/20 0.39
CCR5 P51681 3/20 0.39
CCR8 P51685 3/20 0.39
PDE3B Q13370 2/20 0.39
PDE3A Q14432 2/20 0.39
GRM5 P41594 1/20 0.36
NOS1 P29475 1/20 0.34
RPS6KA5 O75582 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
PSMD14 O00487 1/20 0.31
COPS5 Q92905 1/20 0.31
UHRF1 Q96T88 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL24734425 0.82 NOS2 (0.35) NOS2NOS3PDE3BPDE3A
SCHEMBL9019314 0.82 NOS2 (0.50) NOS2NOS3CCR1CCR5CCR8
SCHEMBL10714692 0.79 NOS2 (0.46) NOS2NOS3CCR1CCR5CCR8
SCHEMBL2083503 0.79 NOS2 (0.46) NOS2NOS3CCR1CCR5CCR8
SCHEMBL27476555 0.79 NOS2 (0.52) NOS2NOS3CCR1CCR5CCR8
SCHEMBL12309822 0.79 PDE3B (0.42) NOS2NOS3PDE3BPDE3ANOS1
SCHEMBL11306368 0.79 NOS2 (0.52) NOS2NOS3CCR1CCR5CCR8
SCHEMBL660759 0.79 NOS2 (0.46) NOS2NOS3CCR1CCR5CCR8
SCHEMBL11843661 0.79 NOS2 (0.61) NOS2NOS3CCR1CCR5CCR8
SCHEMBL27839140 0.79 NOS2 (0.43) NOS2NOS3CCR1CCR5CCR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111285849-A Compound for targeted degradation of ALK, c-Met and ROS1 proteins and preparation method thereof 上海青东生物科技有限公司 2020-06-16 CN claimed
CN-106977449-A A kind of process for catalytic synthesis of the ethylpyridine of 3,5 dimethyl 2 东南大学 2017-07-25 CN claimed
EP-2748601-A1 METHOD OF EASILY IDENTIFYING LUBRICATING OILS, IDENTIFICATION KIT AND LUBRICATING OILS THAT CAN BE EASILY IDENTIFIED Shell Internationale Research Maatschappij B.V. (NL) 2014-07-02 EP claimed
WO-2013050544-A1 METHOD OF EASILY IDENTIFYING LUBRICATING OILS, IDENTIFICATION KIT AND LUBRICATING OILS THAT CAN BE EASILY IDENTIFIED SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2013-04-11 WO claimed
US-20230348453-A1 HALOGENATED-HETEROARYL AND OTHER HETEROCYCLIC KINASE INHIBITORS, AND USES THEREOF IOMX THERAPEUTICS AG (DE) 2023-11-02 US disclosed
US-20230348453-A1 HALOGENATED-HETEROARYL AND OTHER HETEROCYCLIC KINASE INHIBITORS, AND USES THEREOF IOMX THERAPEUTICS AG (DE) 2023-11-02 US disclosed
US-20230192701-A1 BICYCLIC KINASE INHIBITORS AND USES THEREOF IOMX THERAPEUTICS AG (DE) 2023-06-22 US disclosed
US-20230192701-A1 BICYCLIC KINASE INHIBITORS AND USES THEREOF IOMX THERAPEUTICS AG (DE) 2023-06-22 US disclosed
US-20230128713-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND SAMSUNG ELECTRONICS CO LTD (KR) 2023-04-27 US disclosed
US-20210387982-A1 HETEROCYCLIC KINASE INHIBITORS AND USES THEREOF IOMX THERAPEUTICS AG (DE) 2021-12-16 US disclosed
US-20210009577-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2021-01-14 US disclosed
CN-111491730-A Zeolite catalyst 弗特鲁斯控股有限责任公司 2020-08-04 CN disclosed
WO-2002098853-A2 INHIBITORS OF CELL PROLIFERATION, ANGIOGENESIS, FERTILITY, AND MUSCLE CONTRACTION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2002-12-12 WO disclosed
US-5962662-A Method for producing a flavorful and aromatic composition for use in smoking articles R.J. REYNOLDS TOBACCO COMPANY (US) 1999-10-05 US disclosed
US-5081247-A Reacting a 2-alkoxy-2,3-dihydro-4H-pyran or a glutaraldehyde with ammonia in the presence of a zeolite BASF AKTIENGESELLSCHAFT (DE) 1992-01-14 US disclosed
EP-0289924-A2 Process for the preparation of pyridines DEGUSSA AG (DE) 1988-11-09 EP disclosed
US-4588815-A Method for manufacturing pyridine and pyridine derivatives from alkynes and cyano compounds in the presence of complex cobalt or rhodium compounds with ligands containing boron STUDIENGESELLSCHAFT KOHLE MBH (DE) 1986-05-13 US disclosed
EP-0064268-B1 METHOD FOR MANUFACTURING PYRIDINE AND PYRIDINE DERIVATIVES FROM ALKYNES AND CYANO COMPOUNDS IN THE PRESENCE OF COMPLEX COBALT OR RHODIUM COMPOUNDS WITH LIGANDS CONTAINING BORON Studiengesellschaft Kohle mbH (DE) 1985-09-18 EP disclosed
EP-0064268-A1 Method for manufacturing pyridine and pyridine derivatives from alkynes and cyano compounds in the presence of complex cobalt or rhodium compounds with ligands containing boron Studiengesellschaft Kohle mbH (DE) 1982-11-10 EP disclosed
US-4204066-A Preparation of alkyl pyridines UOP INC. (US) 1980-05-20 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 (5 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-20210387982-A1 HETEROCYCLIC KINASE INHIBITORS AND USES THEREOF LCK, SRC, CILK1 NOS2 2977/4885NOS3 3079/4885CCR1 1762/4885
US-20230128713-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND ORC3, LEF1, OCIAD1 NOS2 2140/4885NOS3 2270/4885CCR1 3044/4885
US-20230348453-A1 HALOGENATED-HETEROARYL AND OTHER HETEROCYCLIC KINASE INHIBITORS, AND USES THEREOF ABL1, PRKDC, PRKACA NOS2 3445/4885NOS3 2759/4885CCR1 3032/4885
US-20230192701-A1 BICYCLIC KINASE INHIBITORS AND USES THEREOF MITF, PRKDC, PRKACA NOS2 2920/4885NOS3 2524/4885CCR1 3200/4885
US-20210009577-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS NOS2 4845/4885NOS3 4868/4885CCR1 2507/4885

“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.