SCHEMBL4599084

SCHEMBL4599084

NC(=O)Cc1cccc(F)c1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.45
CES1 P23141 2/20 0.45
BCHE P06276 1/20 0.45
ALDH1A1 P00352 1/20 0.43
RIPK1 Q13546 1/20 0.43
AURKA O14965 1/20 0.41
PDPK1 O15530 1/20 0.41
RPS6KB1 P23443 1/20 0.41
MPO P05164 3/20 0.41
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ICMT O60725 1/20 0.39
MAOB P27338 1/20 0.39
PARP15 Q460N3 1/20 0.39
PARP14 Q460N5 1/20 0.39
PARP10 Q53GL7 1/20 0.39
DPP4 P27487 1/20 0.39
CXCL8 P10145 2/20 0.39
ITGB2 P05107 1/20 0.38
ICAM1 P05362 1/20 0.38

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
SCHEMBL29718813 1.00 CES2 (0.45) CES2CES1BCHEALDH1A1RIPK1
SCHEMBL1142802 0.84 CES2 (0.45) CES2CES1BCHEALDH1A1RIPK1
SCHEMBL2395880 0.84 ALDH1A1 (0.41) CES2CES1BCHEALDH1A1MAOB
SCHEMBL6666485 0.83 CES2 (0.48) CES2CES1BCHEALDH1A1RIPK1
SCHEMBL29639794 0.83 ALDH1A1 (0.55) ALDH1A1MAOBPARP15PARP14PARP10
SCHEMBL1031721 0.83 ALDH1A1 (0.55) ALDH1A1MAOBPARP15PARP14PARP10
SCHEMBL6967661 0.82 CES2 (0.47) CES2CES1BCHEALDH1A1RIPK1
SCHEMBL2151373 0.82 CES2 (0.43) CES2CES1RIPK1GAANPSR1
SCHEMBL2564601 0.82 CES2 (0.43) CES2CES1RIPK1GAANPSR1
SCHEMBL723768 0.82 CXCL8 (0.56) CES2CES1BCHERIPK1CXCL8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023102231-A1 5-PYRIMIDINECARBOXAMIDE DERIVATIVES AND METHODS OF USING THE SAME RGENTA THERAPEUTICS, INC. (US) 2023-06-08 WO disclosed
WO-2021260582-A1 COMBINATION OF ANTIBODY-DRUG CONJUGATE AND AURORA B INHIBITOR ASTRAZENECA UK LIMITED (GB) 2021-12-30 WO disclosed
US-20180098998-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-04-12 US disclosed
US-20170183332-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-06-29 US disclosed
US-9556152-B2 Heterocyclic amides as kinase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-01-31 US disclosed
US-20170008878-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-01-12 US disclosed
US-20150353533-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-12-10 US disclosed
WO-2014121036-A1 5-DEUTERO-2,4-THIAZOLIDINEDIONE AND 5-DEUTERO-2,4-OXAZOLIDINEDIONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME DEUTERX, LLC (US) 2014-08-07 WO disclosed
US-20140221369-A1 5-DEUTERO-2,4-THIAZOLIDINEDIONE AND 5-DEUTERO-2,4-OXAZOLIDINEDIONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME DEUTERX, LLC (US) 2014-08-07 US disclosed
EP-1910311-A2 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS GLAXO GROUP LIMITED (GB) 2008-04-16 EP disclosed
EP-1613619-B1 QUINAZOLINE DERIVATIVES FOR TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-03-26 EP disclosed
EP-1578755-B1 PHOSPHONOOXY QUINAZOLINE DERIVATIVES AND THEIR PHARMACEUTICAL USE ASTRAZENECA AB (SE) 2007-08-22 EP disclosed
WO-2007014762-A2 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS GLAXO GROUP LIMITED (GB) 2007-02-08 WO disclosed
EP-1644361-A1 CHINAZOLINE DERIVATIVES AS AURORA KINASE INHIBITORS Astrazeneca AB (SE) 2006-04-12 EP disclosed
WO-2004113324-A1 CHINAZOLINE DERIVATIVES AS AURORA KINASE INHIBITORS ASTRAZENECA AB (SE) 2004-12-29 WO disclosed
EP-1022272-B1 SUBSTITUTED FUSED HETEROCYCLIC COMPOUNDS SANKYO CO (JP) 2004-05-26 EP disclosed
US-6432993-B1 BENZIMIDAZOLE OR IMIDAZO(4,5-B)PYRIDINE DERIVATES; IMMUNOMODULATORS; ALDOSE REDUCTASE AND LIPOXYGENASE INHIBITORS; DIABETES; PREVENTS LIPID PEROXIDATION; ANTILIPEMIC, HYPOTENSIVE AGENTS SANKYO COMPANY, LIMITED (JP) 2002-08-13 US disclosed
EP-1022272-A1 SUBSTITUTED FUSED HETEROCYCLIC COMPOUNDS Sankyo Company Limited (JP) 2000-07-26 EP disclosed
US-6034266-A ANTIINFLAMMTORY AGENTS, ANALGESICS, ANTIARTHRITIC AGENTS FUNDACAO OSWALDO CRUZ-FIOCRUZ (BR) 2000-03-07 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-20140221369-A1 5-DEUTERO-2,4-THIAZOLIDINEDIONE AND 5-DEUTERO-2,4-OXAZOLIDINEDIONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME SRD5A2, PPARD, SRD5A1 CES2 3791/4885CES1 2980/4885BCHE 4633/4885
US-20170183332-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS CNKSR1, ARAF, MAP4K2 CES2 2816/4885CES1 1730/4885BCHE 2565/4885
US-20170008878-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS CNKSR1, ARAF, MAP4K2 CES2 2816/4885CES1 1730/4885BCHE 2565/4885
US-20180098998-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS CNKSR1, ARAF, MAP4K2 CES2 2816/4885CES1 1730/4885BCHE 2565/4885
US-20150353533-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS CNKSR1, ARAF, MAP3K3 CES2 2740/4885CES1 1690/4885BCHE 2763/4885

“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.