SCHEMBL5700554

SCHEMBL5700554

CC(C)c1cncc(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.39
CHRNB2 P17787 3/20 0.35
CHRNA4 P43681 3/20 0.35
IDH1 O75874 1/20 0.35
CYP19A1 P11511 1/20 0.34
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
HDAC8 Q9BY41 1/20 0.32
ADORA2B P29275 1/20 0.32
ADORA1 P30542 1/20 0.32
TRPV3 Q8NET8 1/20 0.32
METAP2 P50579 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
MKNK1 Q9BUB5 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32

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
Formic Acid SCHEMBL28048151 0.88 HCAR2 (0.40) HCAR2CHRNB2CHRNA4ADORA2BADORA1
SCHEMBL20775371 0.82 ADRB2 (0.46) HCAR2CHRNB2CHRNA4IDH1CYP19A1
SCHEMBL16491297 0.82 CYP11B2 (0.41) HCAR2CHRNB2CHRNA4IDH1ADORA2B
SCHEMBL17000186 0.82 HCAR2 (0.36) HCAR2CHRNB2CHRNA4IDH1CYP19A1
SCHEMBL28468744 0.82 ADRB2 (0.46) HCAR2CHRNB2CHRNA4IDH1CYP19A1
SCHEMBL725480 0.82 PRMT5 (0.34) GABRA1
SCHEMBL28361799 0.79 PRMT5 (0.33) GABRA1
SCHEMBL22585762 0.79 HCAR2 (0.38) HCAR2CHRNB2CHRNA4IDH1ADORA2B
SCHEMBL22912527 0.79 CYP11B1 (0.46) HCAR2CHRNB2CHRNA4IDH1CYP19A1
SCHEMBL21779847 0.79 CHRNB2 (0.35) HCAR2CHRNB2CHRNA4IDH1HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12043607-B2 HDAC inhibitors and therapeutic use thereof TANGO THERAPEUTICS, INC. (US) 2024-07-23 US disclosed
US-12043607-B2 HDAC inhibitors and therapeutic use thereof TANGO THERAPEUTICS, INC. (US) 2024-07-23 US disclosed
US-20240239772-A1 PROTEASE INHIBITORS AND METHODS OF USE THE CLEVELAND CLINIC FOUNDATION 2024-07-18 US disclosed
US-20240239772-A1 PROTEASE INHIBITORS AND METHODS OF USE THE CLEVELAND CLINIC FOUNDATION 2024-07-18 US disclosed
US-20240228504-A1 SUBSTITUTED TRICYCLIC AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2024-07-11 US disclosed
US-12030876-B2 Aryl hydrocarbon receptor (AHR) agonists and uses thereof Ikena Oncology, Inc. (US) 2024-07-09 US disclosed
WO-2024145245-A2 ALPHA-V-BETA-8 INTEGRIN INHIBITORS AND USES THEREOF PLIANT THERAPEUTICS, INC. (US) 2024-07-04 WO disclosed
WO-2024126117-A1 PYRIMIDINONE DERIVATIVES AS PESTICIDAL COMPOUNDS BASF SE (DE) 2024-06-20 WO disclosed
US-20240025879-A1 PYRIDAZINONE COMPOUNDS AND USES THEREOF EDGEWISE THERAPEUTICS, INC. 2024-01-25 US disclosed
US-20240018115-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE LOXO ONCOLOGY, INC. 2024-01-18 US disclosed
US-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF PURDUE PHARMA L.P. 2009-12-03 US disclosed
US-20090270412-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2009-10-29 US disclosed
US-20090239854-A1 Tetracyclic compounds MEDIVATION TECHNOLOGIES, INC. 2009-09-24 US disclosed
US-20090239854-A1 Tetracyclic compounds MEDIVATION TECHNOLOGIES, INC. 2009-09-24 US disclosed
US-20070265226-A1 Hydrolytically-Resistant Boron-Containing Therapeutics And Methods Of Use ANACOR PHARMACEUTICALS (US) 2007-11-15 US disclosed
US-7226950-B2 Sodium channel modulators THERAVANCE, INC. (US) 2007-06-05 US disclosed
EP-1270582-B1 TRIPHENYLPHOSPHINE DERIVATIVES, PALLADIUM OR NICKEL COMPLEXES THEREOF, AND PROCESS FOR PREPARING BIARYL DERIVATIVES MITSUBISHI RAYON CO (JP) 2006-08-30 EP disclosed
US-6693210-B2 USING PALLADIUM, NICKEL PHOSPHINE COMPLEX AS CATALYSTS MITSUBISHI RAYON CO., LTD. (JP) 2004-02-17 US disclosed
US-20030065208-A1 Using palladium, nickel phosphine complex as catalysts MITSUBISHI RAYON CO., LTD. (JP) 2003-04-03 US disclosed
EP-1270582-A1 TRIPHENYLPHOSPHINE DERIVATIVE, PRODUCTION PROCESS THEREFOR, PALLADIUM COMPLEX THEREOF, AND PROCESS FOR PRODUCING BIARYL DERIVATIVE Mitsubishi Rayon Co., Ltd. (JP) 2003-01-02 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 (11 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-20240018115-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE PIK3CA, PIK3R4, PIK3R5 HCAR2 2247/4885CHRNB2 1046/4885CHRNA4 1039/4885
US-12030876-B2 Aryl hydrocarbon receptor (AHR) agonists and uses thereof AHR, ARNT, HCAR1 HCAR2 5/4885CHRNB2 933/4885CHRNA4 1024/4885
US-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF KCNN4, CACNA1A, KCNN3 HCAR2 261/4885CHRNB2 432/4885CHRNA4 242/4885
US-20090270412-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C HCAR2 111/4885CHRNB2 40/4885CHRNA4 23/4885
US-20030065208-A1 Using palladium, nickel phosphine complex as catalysts PDCD1LG2, PIK3CA, PDCD1 HCAR2 3697/4885CHRNB2 4832/4885CHRNA4 4647/4885
US-20240228504-A1 SUBSTITUTED TRICYCLIC AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME SLC10A1, NR1H4, SLC10A2 HCAR2 279/4885CHRNB2 4864/4885CHRNA4 4668/4885
US-20240239772-A1 PROTEASE INHIBITORS AND METHODS OF USE ACE2, ACE, TMPRSS2 HCAR2 3633/4885CHRNB2 4709/4885CHRNA4 4867/4885
US-20070265226-A1 Hydrolytically-Resistant Boron-Containing Therapeutics And Methods Of Use GAA, BTD, MANBA HCAR2 3448/4885CHRNB2 4343/4885CHRNA4 4799/4885
US-12043607-B2 HDAC inhibitors and therapeutic use thereof HDAC1, HDAC7, HDAC5 HCAR2 1379/4885CHRNB2 4528/4885CHRNA4 4666/4885
US-20090239854-A1 Tetracyclic compounds HTR2C, HTR3D, HTR5A HCAR2 41/4885CHRNB2 121/4885CHRNA4 72/4885
US-20240025879-A1 PYRIDAZINONE COMPOUNDS AND USES THEREOF IL6, IL1B, IL1A HCAR2 2141/4885CHRNB2 272/4885CHRNA4 285/4885

“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.