SCHEMBL5542235

SCHEMBL5542235

Cc1ccc2nc(O)ccc2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.63
NCK1 P16333 1/20 0.59
BACE1 P56817 1/20 0.59
CYP2A6 P11509 3/20 0.50
ALDH1A1 P00352 6/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B14 Q9BPX1 1/20 0.45
NQO2 P16083 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PSMB5 P28074 1/20 0.42
KDM4E B2RXH2 4/20 0.41
HPGD P15428 2/20 0.41
NPC1 O15118 1/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 1/20 0.40

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
SCHEMBL5542408 0.84 CYP1A2 (0.61) CYP1A2NCK1BACE1CYP2A6ALDH1A1
Morpholine SCHEMBL27935012 0.82 CYP1A2 (0.45) CYP1A2NCK1BACE1CYP2A6ALDH1A1
SCHEMBL23247265 0.77 CYP1A2 (0.68) CYP1A2NCK1BACE1CYP2A6ALDH1A1
SCHEMBL29522954 0.77 ESR2 (0.59) CYP1A2ALDH1A1MEN1KMT2AHSD17B14
SCHEMBL29444268 0.77 CYP1A2 (1.00) CYP1A2NCK1BACE1CYP2A6ALDH1A1
SCHEMBL1060994 0.77 ESR2 (0.59) CYP1A2ALDH1A1MEN1KMT2AHSD17B14
SCHEMBL161703 0.77 CYP1A2 (1.00) CYP1A2NCK1BACE1CYP2A6ALDH1A1
Iodide SCHEMBL31142554 0.76 CYP1A2 (0.95) CYP1A2NCK1BACE1CYP2A6ALDH1A1
SCHEMBL27671114 0.76 ESR2 (0.57) CYP1A2ALDH1A1MEN1KMT2AHSD17B14
SCHEMBL9755319 0.76 CYP1A2 (0.65) CYP1A2NCK1BACE1CYP2A6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109563103-A modulators of beta-3 adrenergic receptors for the treatment or prevention of disorders related thereto 艾尼纳制药公司 2019-04-02 CN claimed
CN-1759095-A N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARM INC (US) 2006-04-12 CN claimed
CN-117986220-A Method for preparing substituted chromanone derivative 杭州杜易科技有限公司 2024-05-07 CN disclosed
WO-2024050825-A1 COMPOUNDS AS MLKL INHIBITORS NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2024-03-14 WO disclosed
CN-114222734-B Method for preparing substituted chromanone derivative 杭州杜易科技有限公司 2023-12-08 CN disclosed
CN-114222734-A Method for preparing substituted chromanone derivative 杭州杜易科技有限公司 2022-03-22 CN disclosed
US-20210371416-A1 NOVEL 3,5-DISUBSTITUTED-3H-IMIDAZO[4,5-B]PYRIDINE AND 3,5- DISUBSTITUTED -3H-[1,2,3]TRIAZOLO[4,5-B] PYRIDINE COMPOUNDS AS MODULATORS OF C-MET PROTEIN KINASES RHIZEN PHARMACEUTICALS AG (CH) 2021-12-02 US disclosed
US-11066402-B2 3,5-disubstituted-3H-imidazo[4,5-b]pyridine and 3,5-disubstituted-3H-[1,2,3]triazolo[4,5-B] pyridine compounds as modulators of c-Met protein kinases RHIZEN PHARMACEUTICALS SA (CH) 2021-07-20 US disclosed
US-10815226-B2 Heteroaryl compounds as inhibitors of necrosis, composition and application thereof ACCRO BIOSCIENCE INC. (KY) 2020-10-27 US disclosed
CN-106009788-B Coating liquid for forming coating film, method for producing same, and method for producing substrate with coating film 日挥触媒化成株式会社 2020-06-16 CN disclosed
CN-106497400-B Coating liquid for forming coating film, method for producing coating liquid for forming coating film, and substrate with coating film 日挥触媒化成株式会社 2020-04-03 CN disclosed
US-20150057309-A1 NOVEL 3,5-DISUBSTITUTED-3H-IMIDAZO[4,5-B]PYRIDINE AND 3,5- DISUBSTITUTED -3H-[1,2,3]TRIAZOLO[4,5-B] PYRIDINE COMPOUNDS AS MODULATORS OF C-MET PROTEIN, ETC RHIZEN PHARMACEUTICALS AG (CH) 2015-02-26 US disclosed
US-20150057309-A1 NOVEL 3,5-DISUBSTITUTED-3H-IMIDAZO[4,5-B]PYRIDINE AND 3,5- DISUBSTITUTED -3H-[1,2,3]TRIAZOLO[4,5-B] PYRIDINE COMPOUNDS AS MODULATORS OF C-MET PROTEIN, ETC RHIZEN PHARMACEUTICALS AG (CH) 2015-02-26 US disclosed
US-8637542-B2 Kinase inhibitors and methods of use INTELLIKINE, INC. (US) 2014-01-28 US disclosed
WO-2013144737-A2 NOVEL 3,5-DISUBSTITUED-3H-IMIDAZO[4,5-B]PYRIDINE AND 3,5- DISUBSTITUED -3H-[1,2,3]TRIAZOLO[4,5-B] PYRIDINE COMPOUNDS AS MODULATORS OF C-MET PROTEIN KINASES RHIZEN PHARMACEUTICALS SA (CH) 2013-10-03 WO disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 CYP1A2 659/4885NCK1 1888/4885BACE1 3399/4885
US-10815226-B2 Heteroaryl compounds as inhibitors of necrosis, composition and application thereof LITAF, BAX, TNF CYP1A2 735/4885NCK1 777/4885BACE1 1154/4885
US-20150057309-A1 NOVEL 3,5-DISUBSTITUTED-3H-IMIDAZO[4,5-B]PYRIDINE AND 3,5- DISUBSTITUTED -3H-[1,2,3]TRIAZOLO[4,5-B] PYRIDINE COMPOUNDS AS MODULATORS OF C-MET PROTEIN, ETC MET, HGFAC, PRKCH CYP1A2 4181/4885NCK1 309/4885BACE1 4095/4885
US-20210371416-A1 NOVEL 3,5-DISUBSTITUTED-3H-IMIDAZO[4,5-B]PYRIDINE AND 3,5- DISUBSTITUTED -3H-[1,2,3]TRIAZOLO[4,5-B] PYRIDINE COMPOUNDS AS MODULATORS OF C-MET PROTEIN KINASES MET, PRKCH, PRKCE CYP1A2 4464/4885NCK1 226/4885BACE1 4275/4885
US-11066402-B2 3,5-disubstituted-3H-imidazo[4,5-b]pyridine and 3,5-disubstituted-3H-[1,2,3]triazolo[4,5-B] pyridine compounds as modulators of c-Met protein kinases MET, PRKCH, HGFAC CYP1A2 4551/4885NCK1 205/4885BACE1 4295/4885

“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.