Hydrochloric Acid

Hydrochloric Acid

SCHEMBL284301

Cc1nc2cccc(CN)c2c(=O)n1C1CCC(=O)NC1=O.[Cl-].[H+]

nearest known ligand 0.72

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA

The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 20/20 0.72
CRBN Q96SW2 20/20 0.72
IKZF3 Q9UKT9 3/20 0.72
TNF P01375 2/20 0.72
IL1B P01584 2/20 0.72
TBXA2R P21731 1/20 0.39
IKZF1 Q13422 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
SCHEMBL18945872 0.98 DDB1 (0.75) DDB1CRBNIKZF3TNFIL1B
SCHEMBL283241 0.98 DDB1 (0.75) DDB1CRBNIKZF3TNFIL1B
SCHEMBL18904277 0.98 DDB1 (0.75) DDB1CRBNIKZF3TNFIL1B
Hydrochloric Acid SCHEMBL284302 0.97 DDB1 (0.74) DDB1CRBNIKZF3TNFIL1B
SCHEMBL25475645 0.89 DDB1 (0.74) DDB1CRBNIKZF3TNFIL1B
SCHEMBL14218469 0.89 DDB1 (0.74) DDB1CRBNIKZF3TNFIL1B
SCHEMBL10214943 0.88 DDB1 (0.60) DDB1CRBNIKZF3TNFIL1B
SCHEMBL2603174 0.87 DDB1 (0.70) DDB1CRBNIKZF3TNFIL1B
SCHEMBL24132518 0.87 DDB1 (0.70) DDB1CRBNIKZF3TNFIL1B
SCHEMBL29893790 0.86 DDB1 (0.63) DDB1CRBNIKZF3TNFIL1B

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170369471-A1 5-SUBSTITUTED QUINAZOLINONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORP (US) 2017-12-28 US disclosed
EP-3239144-A1 5-SUBSTITUTED QUINAZOLINONE DERIVATIVES AS ANTI-CANCER AGENTS Celgene Corporation (US) 2017-11-01 EP disclosed
US-9732064-B2 5-substituted quinazolinone derivatives and compositions comprising and methods of using the same CELGENE CORPORATION (US) 2017-08-15 US disclosed
EP-2428513-B1 5-substituted quinazolinone derivatives as anti-cancer agents CELGENE CORP (US) 2017-05-31 EP disclosed
EP-2420498-B1 5-substituted quinazolinone derivatives as anti-cancer agents CELGENE CORP (US) 2017-05-31 EP disclosed
EP-2420497-B1 5-substituted quinazolinone derivatives as anti-cancer agents CELGENE CORP (US) 2015-12-16 EP disclosed
US-20150080419-A1 5-SUBSTITUTED QUINAZOLINONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORPORATION 2015-03-19 US disclosed
US-8921385-B2 5-substituted quinazolinone derivatives and compositions comprising and methods of using the same CELGENE CORPORATION (US) 2014-12-30 US disclosed
EP-2066656-B1 5-SUBSTITUTED QUINAZOLINONE DERIVATIVES AS ANTITUMOR AGENTS CELGENE CORP (US) 2012-04-25 EP disclosed
EP-2428513-A1 5-substituted quinazolinone derivatives as anti-cancer agents Celgene Corporation (US) 2012-03-14 EP disclosed
EP-2420497-A1 5-substituted quinazolinone derivatives as anti-cancer agents CELGENE CORPORATION (US) 2012-02-22 EP disclosed
EP-2420498-A1 5-substituted quinazolinone derivatives as anti-cancer agents Celgene Corporation (US) 2012-02-22 EP disclosed
US-20100093774-A1 5-SUBSTITUTED QUINAZOLINONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORPORATION. 2010-04-15 US disclosed
US-7635700-B2 e.g. 3-(5-METHYL-4-OXO-4H-QUINAZOLIN-3-YL)-PIPERIDINE-2,6-DIONE; cytokine (epidermal/fibroblast/endothelial/tumor necrosis growth factors) antagonist; antitumor, antiinflammatory agent, neurodegenerative diseases CELGENE CORPORATION (US) 2009-12-22 US disclosed
EP-2066656-A2 5-SUBSTITUTED QUINAZOLINONE DERIVATIVES AS ANTITUMOR AGENTS CELGENE CORPORATION (US) 2009-06-10 EP disclosed
US-20080161328-A1 e.g. 3-(5-METHYL-4-OXO-4H-QUINAZOLIN-3-YL)-PIPERIDINE-2,6-DIONE; cytokine (epidermal/fibroblast/endothelial/tumor necrosis growth factors) antagonist; antitumor, antiinflammatory agent, neurodegenerative diseases CELGENE CORPORATION 2008-07-03 US disclosed
WO-2008039489-A2 5-SUBSTITUTED QUINAZOLINONE DERIVATIVES AS ANTITUMOR AGENTS CELGENE CORPORATION (US) 2008-04-03 WO 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 (4 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-20150080419-A1 5-SUBSTITUTED QUINAZOLINONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME IL5, IL6, PGF DDB1 4060/4885CRBN 3139/4885IKZF3 4145/4885
US-20080161328-A1 e.g. 3-(5-METHYL-4-OXO-4H-QUINAZOLIN-3-YL)-PIPERIDINE-2,6-DIONE; cytokine (epidermal/fibroblast/endothelial/tumor necrosis growth factors) antagonist; antitumor, antiinflammatory agent, neurodegenerative diseases FGF2, TNF, FGF1 DDB1 2526/4885CRBN 2562/4885IKZF3 3719/4885
US-20100093774-A1 5-SUBSTITUTED QUINAZOLINONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME IL5, IL6, PGF DDB1 4060/4885CRBN 3139/4885IKZF3 4145/4885
US-20170369471-A1 5-SUBSTITUTED QUINAZOLINONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME IL5, IL6, PGF DDB1 4060/4885CRBN 3139/4885IKZF3 4145/4885

“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.