SCHEMBL13876322

SCHEMBL13876322

C=C(C)c1ccc(NC(=O)OC(C)(C)C)nc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.47
HDAC1 Q13547 1/20 0.44
BCL2 P10415 1/20 0.44
LMNA P02545 2/20 0.43
MEN1 O00255 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NAMPT P43490 2/20 0.42
CYP17A1 P05093 2/20 0.42
GSK3B P49841 1/20 0.42
DYRK1A Q13627 1/20 0.42
POLB P06746 1/20 0.42
DEGS1 O15121 2/20 0.42
HCAR3 P49019 2/20 0.40
PTK2 Q05397 1/20 0.39
NNMT P40261 1/20 0.39
ATR Q13535 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
SCHEMBL31599569 1.00 GRIN2B (0.47) GRIN2BHDAC1BCL2LMNAMEN1
SCHEMBL28658285 0.88 GRIN2B (0.48) GRIN2BHDAC1BCL2LMNAMAPT
SCHEMBL31727242 0.88 GRIN2B (0.48) GRIN2BHDAC1BCL2LMNAMAPT
SCHEMBL29651977 0.85 HCAR3 (0.57) GRIN2BHDAC1BCL2HCAR3
SCHEMBL2877186 0.85 HCAR3 (0.57) GRIN2BHDAC1BCL2HCAR3
SCHEMBL7936803 0.84 HCAR3 (0.55) GRIN2BHDAC1BCL2HCAR3
SCHEMBL2772417 0.84 MAPK1 (0.51) GRIN2BHDAC1BCL2L3MBTL1NAMPT
SCHEMBL5734042 0.84 NNMT (0.58) GRIN2BHDAC1BCL2NAMPTGSK3B
SCHEMBL20828520 0.83 GRIN2B (0.47) GRIN2BHDAC1BCL2LMNAMAPT
Lithium Ion SCHEMBL7936799 0.83 GRIN2B (0.47) GRIN2BHDAC1BCL2LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12404253-B2 2,4,6-trisubstituted 1,3,5-triazines as modulators of CX3CR1 ASTRAZENECA AB (SE) 2025-09-02 US disclosed
EP-4605388-A1 <SUP2/>? <SUB2/>?3?2,4,6-TRISUBSTITUTED 1,3,5-TRIAZINES AS MODULATORS OF CXCR1 Astrazeneca AB (SE) 2025-08-27 EP disclosed
US-20240383866-A1 2,4,6-TRISUBSTITUTED 1,3,5-TRIAZINES AS MODULATORS OF CX3CR1 ASTRAZENECA AB (SE) 2024-11-21 US disclosed
US-20240199558-A1 2,4,6-TRISUBSTITUTED 1,3,5-TRIAZINES AS MODULATORS OF CX3CR1 ASTRAZENECA AB (SE) 2024-06-20 US disclosed
WO-2024083933-A1 2,4,6-TRISUBSTITUTED 1,3,5-TRIAZINES AS MODULATORS OF CX 3CR1 ASTRAZENECA AB (SE) 2024-04-25 WO disclosed
US-20240043423-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HEDGEHOG PATHWAY ASSOCIATED CONDITIONS SUZHOU MEDNES PHARMA TECH CO., LTD. (CN) 2024-02-08 US disclosed
US-11718614-B2 Compounds and methods for treatment of hedgehog pathway associated conditions SUZHOU MEDNES PHARMA TECH CO., LTD. (CN) 2023-08-08 US disclosed
US-11718614-B2 Compounds and methods for treatment of hedgehog pathway associated conditions SUZHOU MEDNES PHARMA TECH CO., LTD. (CN) 2023-08-08 US disclosed
US-11718614-B2 Compounds and methods for treatment of hedgehog pathway associated conditions SUZHOU MEDNES PHARMA TECH CO., LTD. (CN) 2023-08-08 US disclosed
US-20210214353-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HEDGEHOG PATHWAY ASSOCIATED CONDITIONS SUZHOU MEDNES PHARMA TECH CO., LTD. (CN) 2021-07-15 US disclosed
US-8623873-B2 Substituted piperazines as CB1 antagonists INTERVET INC. (US) 2014-01-07 US disclosed
US-8623873-B2 Substituted piperazines as CB1 antagonists INTERVET INC. (US) 2014-01-07 US disclosed
US-20090105208-A1 Substituted Piperazines as CB1 Antagonists SCHERING CORPORATION 2009-04-23 US disclosed
US-20090105208-A1 Substituted Piperazines as CB1 Antagonists SCHERING CORPORATION 2009-04-23 US disclosed
WO-2009005646-A2 SUBSTITUTED PIPERAZINES AS CB1 ANTAGONISTS SCHERING CORPORATION (US) 2009-01-08 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 (7 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-20240199558-A1 2,4,6-TRISUBSTITUTED 1,3,5-TRIAZINES AS MODULATORS OF CX3CR1 CX3CR1, CCR2, CCR5 GRIN2B 237/4885HDAC1 721/4885BCL2 1121/4885
US-20240383866-A1 2,4,6-TRISUBSTITUTED 1,3,5-TRIAZINES AS MODULATORS OF CX3CR1 CX3CR1, CCR2, CCR5 GRIN2B 237/4885HDAC1 721/4885BCL2 1121/4885
US-12404253-B2 2,4,6-trisubstituted 1,3,5-triazines as modulators of CX3CR1 CX3CR1, CCR2, CCR5 GRIN2B 237/4885HDAC1 721/4885BCL2 1121/4885
US-11718614-B2 Compounds and methods for treatment of hedgehog pathway associated conditions SHH, GLI1, SMO GRIN2B 3453/4885HDAC1 550/4885BCL2 20/4885
US-20240043423-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HEDGEHOG PATHWAY ASSOCIATED CONDITIONS SHH, GLI1, SMO GRIN2B 3554/4885HDAC1 524/4885BCL2 17/4885
US-20090105208-A1 Substituted Piperazines as CB1 Antagonists CNR1, CNR2, GPR119 GRIN2B 94/4885HDAC1 359/4885BCL2 3367/4885
US-20210214353-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HEDGEHOG PATHWAY ASSOCIATED CONDITIONS SHH, GLI1, SMO GRIN2B 3453/4885HDAC1 550/4885BCL2 20/4885

“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.