SCHEMBL217079

SCHEMBL217079

COC(=O)COc1cccc(N)c1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.56
TP53 P04637 1/20 0.56
ALDH1A1 P00352 3/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
GAA P10253 1/20 0.50
LMNA P02545 1/20 0.50
TSHR P16473 1/20 0.49
FAAH O00519 1/20 0.48
MAOB P27338 1/20 0.47
CYSLTR2 Q9NS75 1/20 0.47
CYSLTR1 Q9Y271 1/20 0.47
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL4076916 0.88 LMNA (0.62) CYP3A4ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL655678 0.84 TP53 (0.62) CYP3A4TP53ALDH1A1CYP1A2CYP2C9
SCHEMBL28741212 0.84 TSHR (0.54) CYP3A4TP53ALDH1A1KMT2ALMNA
SCHEMBL29577774 0.84 TP53 (0.62) CYP3A4TP53ALDH1A1CYP1A2CYP2C9
SCHEMBL3968332 0.83 KMT2A (0.50) CYP3A4ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL10753958 0.83 CYP3A4 (0.59) CYP3A4TP53ALDH1A1CYP1A2CYP2C9
SCHEMBL7293057 0.83 LMNA (0.72) CYP3A4TP53ALDH1A1CYP1A2CYP2C9
SCHEMBL31556370 0.83 LMNA (0.72) CYP3A4TP53ALDH1A1CYP1A2CYP2C9
SCHEMBL1491601 0.83 TSHR (0.56) CYP3A4TP53ALDH1A1LMNATSHR
SCHEMBL345002 0.83 MAPT (0.56) CYP3A4TP53ALDH1A1CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12110278-B2 Selective JAK2 pseudokinase ligands and methods of use YALE UNIVERSITY (US) 2024-10-08 US disclosed
US-20220387602-A1 BIFUNCTIONAL DEGRADERS AND THEIR METHODS OF USE NOVARTIS AG (CH) 2022-12-08 US disclosed
US-20220387602-A1 BIFUNCTIONAL DEGRADERS AND THEIR METHODS OF USE NOVARTIS AG (CH) 2022-12-08 US disclosed
EP-4031247-A1 BIFUNCTIONAL DEGRADERS AND THEIR METHODS OF USE Novartis AG (CH) 2022-07-27 EP disclosed
CN-114521196-A Bifunctional group degradation agent and use method thereof 诺华股份有限公司 2022-05-20 CN disclosed
US-20220112166-A1 Selective JAK2 Pseudokinase Ligands and Methods of Use YALE UNIVERSITY 2022-04-14 US disclosed
US-20220112166-A1 Selective JAK2 Pseudokinase Ligands and Methods of Use YALE UNIVERSITY 2022-04-14 US disclosed
EP-3924333-A1 SUBSTITUTED AMIDE COMPOUNDS USEFUL AS FARNESOID X RECEPTOR MODULATORS Bristol-Myers Squibb Company (US) 2021-12-22 EP disclosed
CN-113727973-A Substituted amide compounds useful as farnesoid X receptor modulators 百时美施贵宝公司 2021-11-30 CN disclosed
WO-2021053495-A1 BIFUNCTIONAL DEGRADERS AND THEIR METHODS OF USE NOVARTIS AG (CH) 2021-03-25 WO disclosed
WO-2003041714-A1 BENZOTRIAZEPINES AS GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 2003-05-22 WO disclosed
EP-0900255-B1 DONOR-SUBSTITUTED OXINDIGO DERIVATIVES AND THEIR USE AS COLOURANTS CIBA SC HOLDING AG (CH) 2001-12-19 EP disclosed
US-6156914-A Donor-substituted oxindigo derivatives and their use as colorants CIBA SPECIALTY CHEMICALS CORPORATION (US) 2000-12-05 US disclosed
US-5922717-A ANTICOAGULANTS DR. KARL THOMAE GMBH (DE) 1999-07-13 US disclosed
EP-0900255-A1 DONOR-SUBSTITUTED OXINDIGO DERIVATIVES AND THEIR USE AS COLOURANTS Ciba SC Holding AG (CH) 1999-03-10 EP disclosed
US-5700801-A ANTIINFLAMMATORY AGENTS, BONE DISORDERS KARL THOMAE, GMBH (DE) 1997-12-23 US disclosed
WO-1997041176-A1 DONOR-SUBSTITUTED OXINDIGO DERIVATIVES AND THEIR USE AS COLOURANTS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 1997-11-06 WO disclosed
EP-0799202-A1 PIPERAZINE DERIVATIVES, MEDICAMENTS CONTAINING THE SAME, THEIR USE AND PROCESS FOR PREPARING THE SAME Dr. Karl Thomae GmbH (DE) 1997-10-08 EP disclosed
WO-1996020173-A1 PIPERAZINE DERIVATIVES, MEDICAMENTS CONTAINING THE SAME, THEIR USE AND PROCESS FOR PREPARING THE SAME DR. KARL THOMAE GMBH (DE) 1996-07-04 WO disclosed
EP-0718287-A2 Piperazine derivatives, medicaments containing them, their use, and processes for their preparation Dr. Karl Thomae GmbH (DE) 1996-06-26 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 (3 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-12110278-B2 Selective JAK2 pseudokinase ligands and methods of use JAK2, JAK1, MCL1 CYP3A4 4277/4885TP53 2055/4885ALDH1A1 3690/4885
US-20220387602-A1 BIFUNCTIONAL DEGRADERS AND THEIR METHODS OF USE JMJD7, MDM2, IDE CYP3A4 2539/4885TP53 126/4885ALDH1A1 2189/4885
US-20220112166-A1 Selective JAK2 Pseudokinase Ligands and Methods of Use JAK2, JAK1, MCL1 CYP3A4 4277/4885TP53 2055/4885ALDH1A1 3690/4885

“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.