SCHEMBL2204875

SCHEMBL2204875

CNc1ccc(OC)cc1C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.59
ADRA2A P08913 1/20 0.51
ADRA2C P18825 1/20 0.51
ADRA1D P25100 1/20 0.51
ADRA1A P35348 1/20 0.51
ADRA1B P35368 1/20 0.51
RAB9A P51151 2/20 0.47
FFAR4 Q5NUL3 1/20 0.44
CA12 O43570 4/20 0.43
CA1 P00915 4/20 0.43
CA2 P00918 4/20 0.43
CA9 Q16790 4/20 0.43
HPGD P15428 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
CA7 P43166 2/20 0.42
CA14 Q9ULX7 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL11108209 0.83 GAA (0.56) GAAADRA2AADRA2CADRA1DADRA1A
SCHEMBL9228069 0.83 GAA (0.46) GAAADRA2AADRA2CADRA1DADRA1A
SCHEMBL12831543 0.82 F10 (0.47) GAARAB9ACA12CA1CA2
SCHEMBL11407076 0.81 GAA (0.58) GAAADRA2AADRA2CADRA1DADRA1A
SCHEMBL4791618 0.81 GAA (0.58) GAAADRA2AADRA2CADRA1DADRA1A
SCHEMBL11821170 0.81 GAA (0.58) GAAADRA2AADRA2CADRA1DADRA1A
SCHEMBL2866545 0.81 GAA (0.58) GAAADRA2AADRA2CADRA1DADRA1A
SCHEMBL9627103 0.80 SLC2A1 (0.46) GAAADRA2AADRA2CADRA1DADRA1A
Hydrochloric Acid SCHEMBL6232272 0.79 GAA (0.56) GAAADRA2AADRA2CADRA1DADRA1A
Hydrochloric Acid SCHEMBL31451442 0.79 GAA (0.56) GAAADRA2AADRA2CADRA1DADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117384080-A Synthesis method of N-methyl-2-phenylindole 南京工业大学 2024-01-12 CN disclosed
US-20230365559-A1 NOVEL AMINOPYRIDINES AND THEIR USE IN TREATING CANCER AUCKLAND UNISERVICES LIMITED (NZ) 2023-11-16 US disclosed
US-20230203007-A1 PYRIDINYLACETAMIDE DERIVATIVES AS SODIUM CHANNEL ACTIVATORS X-CHEM GLOBAL HQ 2023-06-29 US disclosed
WO-2023102140-A1 TMPRSS2 INHIBITORS AND METHODS OF USE TOPSPIN THERAPEUTICS, INC. (US) 2023-06-08 WO disclosed
US-11339180-B2 Antitumoral compounds PHARMA MAR, S.A. (ES) 2022-05-24 US disclosed
US-11186566-B2 Modulator of cystic fibrosis transmembrane conductance regulator, pharmaceutical compositions, methods of treatment, and process for making the modulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-11-30 US disclosed
US-11111252-B2 Pyrimidine compounds and pyrimido indole compounds and methods of use DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2021-09-07 US disclosed
US-20210246146-A1 ANTITUMORAL COMPOUNDS PHARMA MAR SA (ES) 2021-08-12 US disclosed
US-11001595-B2 Pyrimidine compounds and pyrimido indole compounds and methods of use DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2021-05-11 US disclosed
EP-3798214-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2021-03-31 EP disclosed
US-20100204196-A1 2-[2--1H-Pyrrolo[2,3-D]Pyrimidin-4-YL)Amino] Benzamide Derivatives As IGF-1R Inhibitors For The Treatment Of Cancer GLAXOSMITHKLINE LLC 2010-08-12 US disclosed
US-20100204196-A1 2-[2--1H-Pyrrolo[2,3-D]Pyrimidin-4-YL)Amino] Benzamide Derivatives As IGF-1R Inhibitors For The Treatment Of Cancer GLAXOSMITHKLINE LLC 2010-08-12 US disclosed
US-20100204196-A1 2-[2--1H-Pyrrolo[2,3-D]Pyrimidin-4-YL)Amino] Benzamide Derivatives As IGF-1R Inhibitors For The Treatment Of Cancer GLAXOSMITHKLINE LLC 2010-08-12 US disclosed
EP-2188292-A1 2- [ (2-{PHENYLAMINO}-1H-PYRROLO [2, 3-D]PYRIMIDIN-4-YL) AMINO]BENZAMIDE DERIVATIVES AS IGF-1R INHIBITORS FOR THE TREATMENT OF CANCER GlaxoSmithKline LLC (US) 2010-05-26 EP disclosed
WO-2009020990-A1 2- [ (2-{PHENYLAMINO}-1H-PYRROLO [2, 3-D] PYRIMIDIN-4-YL) AMINO] BENZAMIDE DERIVATIVES AS IGF-1R INHIBITORS FOR THE TREATMENT OF CANCER SMITHKLINE BEECHAM CORPORATION (US) 2009-02-12 WO disclosed
WO-2009020990-A1 2- [ (2-{PHENYLAMINO}-1H-PYRROLO [2, 3-D] PYRIMIDIN-4-YL) AMINO] BENZAMIDE DERIVATIVES AS IGF-1R INHIBITORS FOR THE TREATMENT OF CANCER SMITHKLINE BEECHAM CORPORATION (US) 2009-02-12 WO disclosed
EP-1749827-A1 ANTI-TUMOR AGENT KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-02-07 EP disclosed
US-4952731-A Process for producing diphenylamines or N,N'-diphenyl-phenylenediamines MITSUI TOATSU CHEMICALS, INC. (JP) 1990-08-28 US disclosed
US-4871875-A Process for producing diphenylamines or N,N'-diphenylphenylenediamines MITSUI TOATSU CHEMICALS, INC. (JP) 1989-10-03 US disclosed
US-4804783-A Process for producing diphenylamines or N,N'-diphenyl-phenylenediamines MITSUI TOATSU CHEMICALS, INC. (JP) 1989-02-14 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-11186566-B2 Modulator of cystic fibrosis transmembrane conductance regulator, pharmaceutical compositions, methods of treatment, and process for making the modulator CFTR, SLC26A4, ABCB11 GAA 1433/4885ADRA2A 345/4885ADRA2C 418/4885
US-20230203007-A1 PYRIDINYLACETAMIDE DERIVATIVES AS SODIUM CHANNEL ACTIVATORS SCN1A, SCN3A, SCN2A GAA 4127/4885ADRA2A 280/4885ADRA2C 658/4885
US-20100204196-A1 2-[2--1H-Pyrrolo[2,3-D]Pyrimidin-4-YL)Amino] Benzamide Derivatives As IGF-1R Inhibitors For The Treatment Of Cancer IGF1R, IGFBP2, IGFBP1 GAA 2452/4885ADRA2A 1095/4885ADRA2C 1565/4885
US-11111252-B2 Pyrimidine compounds and pyrimido indole compounds and methods of use DPYD, TYMP, TPMT GAA 2163/4885ADRA2A 3160/4885ADRA2C 1952/4885
US-20230365559-A1 NOVEL AMINOPYRIDINES AND THEIR USE IN TREATING CANCER DCK, DTYMK, TYMP GAA 2100/4885ADRA2A 1397/4885ADRA2C 852/4885
US-11339180-B2 Antitumoral compounds TP53, TOP1, MCL1 GAA 49/4885ADRA2A 4412/4885ADRA2C 4243/4885
US-20210246146-A1 ANTITUMORAL COMPOUNDS TP53, TOP1, MCL1 GAA 49/4885ADRA2A 4412/4885ADRA2C 4243/4885
US-11001595-B2 Pyrimidine compounds and pyrimido indole compounds and methods of use DPYD, HPRT1, TPMT GAA 3776/4885ADRA2A 2686/4885ADRA2C 1539/4885

“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.