SCHEMBL257075

SCHEMBL257075

CCc1ccc(Br)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 1/20 0.50
TSHR P16473 3/20 0.42
ALDH1A1 P00352 4/20 0.40
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL11452260 0.83 PYCR1 (0.51) PYCR1TSHRALDH1A1MEN1KMT2A
SCHEMBL43286 0.82 GABRA1 (0.44) PYCR1TSHRALDH1A1GRIN2DGRIN3B
SCHEMBL29426994 0.82 GABRA1 (0.44) PYCR1TSHRALDH1A1GRIN2DGRIN3B
SCHEMBL6684805 0.79 PYCR1 (0.45) PYCR1TSHRMEN1KMT2AMAPK1
SCHEMBL8230054 0.79 GRIN2D (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30345107 0.79 PYCR1 (0.47) PYCR1TSHRALDH1A1MEN1KMT2A
SCHEMBL307792 0.79 PYCR1 (0.47) PYCR1TSHRALDH1A1MEN1KMT2A
SCHEMBL6299216 0.79 PYCR1 (0.47) PYCR1TSHRALDH1A1MEN1KMT2A
SCHEMBL7787482 0.78 GABRA1 (0.44) PYCR1TSHRALDH1A1GABRA1GABRB2
SCHEMBL18685094 0.78 CCR5 (0.51) PYCR1TSHRALDH1A1CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024064923-A9 COVALENT, CHEMOGENETIC ACTIVATORS FOR K2P POTASSIUM CHANNELS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-07-18 WO disclosed
WO-2024109919-A1 PYRIDONE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 盛睿泽华医药科技(苏州)有限公司 2024-05-30 WO disclosed
US-20240016942-A1 STAT DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2024-01-18 US disclosed
US-20230357179-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC 2023-11-09 US disclosed
US-20230257352-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC 2023-08-17 US disclosed
US-20230173078-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-06-08 US disclosed
US-9988391-B2 TBK/IKK inhibitor compounds and uses thereof MERCK PATENT GMBH (DE) 2018-06-05 US disclosed
EP-3008045-B1 ANTIBACTERIAL THIAZOLECARBOXYLIC ACIDS ANTABIO SAS (FR) 2018-05-09 EP disclosed
US-9914712-B2 Antibacterial thiazolecarboxylic acids ANTABIO SAS (FR) 2018-03-13 US disclosed
WO-2017158151-A1 PYRIMIDONE DERIVATIVES AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE SAVIRA PHARMACEUTICALS GMBH (AT) 2017-09-21 WO disclosed
US-20110237791-A1 2-PYRIDONE COMPOUNDS TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-09-29 US disclosed
WO-2011068211-A1 2-PYRIDONE COMPOUNDS 大正製薬株式会社 (JP) 2011-06-09 WO disclosed
EP-2099796-B1 AZA-INDOLYL COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2011-06-01 EP disclosed
WO-2011021645-A1 BICYCLIC UREA DERIVATIVE OR PHARMACOLOGICALLY PERMITTED SALT THEREOF 大日本住友製薬株式会社 (JP) 2011-02-24 WO disclosed
WO-2008157179-A2 N-SUBSTITUTED AZAINDOLES AND METHODS OF USE GENENTECH, INC. (US) 2008-12-24 WO disclosed
WO-2008024724-A1 AZA-BENZOTHIOPHENYL COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2008-02-28 WO disclosed
WO-2008024725-A1 AZA-BENZOFURANYL COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2008-02-28 WO disclosed
CN-1075071-C (R)-(E)-(4-substituted-phenyl-1,3-dithiolan-3-dithiolan-2-ylidene)-1-imidazolylacetonitrile, antifungal composition contg. same, and method for producing same NIHON NOHYAKU CO LTD (JP) 2001-11-21 CN disclosed
CN-1192438-A (R)-(E)-(4-substituted-phenyl-1,3-dithiolan-3-dithiolan-2-ylidene)-1-imidazolylacetonitrile, antifungal composition contg. same, and method for producing same NIHON NOHYAKU CO LTD (JP) 1998-09-09 CN disclosed
US-4210610-A CHLOROARYLHYDROXY SUBSTITUTED ACETYLENES GULF RESEARCH AND DEVELOPMENT COMPANY (US) 1980-07-01 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-20110237791-A1 2-PYRIDONE COMPOUNDS PDXK, HK1, KCNJ2 PYCR1 737/4885TSHR 2566/4885ALDH1A1 2239/4885
US-20230357179-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF PYCR1 4513/4885TSHR 2839/4885ALDH1A1 2049/4885
US-20230257352-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF PYCR1 4513/4885TSHR 2839/4885ALDH1A1 2049/4885
US-20240016942-A1 STAT DEGRADERS AND USES THEREOF STAT4, STAT1, STAT3 PYCR1 3051/4885TSHR 1768/4885ALDH1A1 2465/4885
US-20230173078-A1 SMARCA DEGRADERS AND USES THEREOF SMARCA1, SMARCA2, SMARCC2 PYCR1 1942/4885TSHR 4388/4885ALDH1A1 2230/4885

“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.