SCHEMBL19665753

SCHEMBL19665753

CC(CCNc1nc(NC(C)(C)C)ncc1[N+](=O)[O-])NC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 11/20 0.42
SIRT5 Q9NXA8 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
STK17A Q9UEE5 1/20 0.39
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
MCL1 Q07820 1/20 0.38
PTK2B Q14289 1/20 0.38
GSK3B P49841 3/20 0.37
AURKA O14965 2/20 0.37
GSK3A P49840 2/20 0.37
ATM Q13315 1/20 0.34

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
SCHEMBL29802501 0.88 PRKCQ (0.38) PRKCQSIRT5L3MBTL1STK17AMEN1
SCHEMBL19665717 0.83 JAK1 (0.37) AURKA
SCHEMBL19665731 0.83 PIN1 (0.47) PRKCQSIRT5L3MBTL1STK17ACYP1A2
SCHEMBL19665741 0.82 GSK3A (0.47) PRKCQSIRT5MEN1KMT2AGSK3B
SCHEMBL19665714 0.82 SIRT5 (0.53) PRKCQSIRT5L3MBTL1STK17AMEN1
SCHEMBL28639475 0.82 PRKCQ (0.41) PRKCQSIRT5L3MBTL1STK17AMEN1
SCHEMBL19665763 0.80 PRKCQ (0.46) PRKCQSIRT5L3MBTL1STK17AMEN1
SCHEMBL19665630 0.76 L3MBTL1 (0.44) PRKCQSIRT5L3MBTL1STK17AMEN1
SCHEMBL28657267 0.75 L3MBTL1 (0.47) PRKCQSIRT5L3MBTL1STK17AMEN1
SCHEMBL19665633 0.74 STK17A (0.53) PRKCQSIRT5L3MBTL1STK17AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3464287-B1 ANIMAL AND HUMAN ANTI-MALARIAL AGENTS CELGENE CORP (US) 2022-06-08 EP disclosed
US-11344554-B2 Animal and human anti-malarial agents CELGENE CORPORATION (US) 2022-05-31 US disclosed
US-20200330469-A1 ANIMAL AND HUMAN ANTI-MALARIAL AGENTS CELGENE CORP (US) 2020-10-22 US disclosed
US-10736899-B2 Animal and human anti-malarial agents CELGENE CORPORATION (US) 2020-08-11 US disclosed
US-10420771-B2 Animal and human anti-malarial agents CELGENE CORPORATION (US) 2019-09-24 US disclosed
EP-3464287-A1 ANIMAL AND HUMAN ANTI-MALARIAL AGENTS Celgene Corporation (US) 2019-04-10 EP disclosed
US-20180280398-A1 ANIMAL AND HUMAN ANTI-MALARIAL AGENTS CELGENE CORP (US) 2018-10-04 US disclosed
US-10016436-B2 Animal and human anti-malarial agents CELGENE CORPORATION (US) 2018-07-10 US disclosed
WO-2017210399-A1 ANIMAL AND HUMAN ANTI-MALARIAL AGENTS CELGENE CORPORATION (US) 2017-12-07 WO disclosed
US-20170348316-A1 ANIMAL AND HUMAN ANTI-MALARIAL AGENTS CELGENE CORPORATION 2017-12-07 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 (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-20200330469-A1 ANIMAL AND HUMAN ANTI-MALARIAL AGENTS HPRT1, UMPS, PNP PRKCQ 2957/4885SIRT5 2163/4885L3MBTL1 919/4885
US-20170348316-A1 ANIMAL AND HUMAN ANTI-MALARIAL AGENTS HPRT1, NUDT1, UMPS PRKCQ 3197/4885SIRT5 2434/4885L3MBTL1 622/4885
US-10420771-B2 Animal and human anti-malarial agents HPRT1, UMPS, PNP PRKCQ 2856/4885SIRT5 2151/4885L3MBTL1 1006/4885
US-10736899-B2 Animal and human anti-malarial agents HPRT1, UMPS, PNP PRKCQ 2957/4885SIRT5 2163/4885L3MBTL1 919/4885
US-10016436-B2 Animal and human anti-malarial agents HPRT1, NUDT1, UMPS PRKCQ 3197/4885SIRT5 2434/4885L3MBTL1 622/4885
US-11344554-B2 Animal and human anti-malarial agents HPRT1, UMPS, PNP PRKCQ 2957/4885SIRT5 2163/4885L3MBTL1 919/4885
US-20180280398-A1 ANIMAL AND HUMAN ANTI-MALARIAL AGENTS HPRT1, UMPS, PNP PRKCQ 2957/4885SIRT5 2163/4885L3MBTL1 919/4885

“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.