SCHEMBL19665693

SCHEMBL19665693

CC(C)(C)Nc1ncc(N)c(NCCCNC(=O)O)n1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIRT5 Q9NXA8 16/20 0.41
STK17B O94768 1/20 0.39
STK17A Q9UEE5 1/20 0.39
MAPK8 P45983 2/20 0.36
MAPK9 P45984 2/20 0.36
ADORA3 P0DMS8 1/20 0.35
MAPK10 P53779 1/20 0.35
CHEK1 O14757 1/20 0.35
FLT3 P36888 1/20 0.35

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
SCHEMBL19665726 0.86 STK17B (0.56) STK17BSTK17A
SCHEMBL29802472 0.86 STK17B (0.56) STK17BSTK17A
SCHEMBL29290149 0.82 STK17A (0.44) STK17BSTK17A
SCHEMBL19665725 0.81 MAPK8 (0.34) MAPK8MAPK9ADORA3MAPK10CHEK1
SCHEMBL19665714 0.81 SIRT5 (0.53) SIRT5STK17A
SCHEMBL28652855 0.81 JAK3 (0.38) STK17BSTK17AMAPK8MAPK9ADORA3
SCHEMBL19665717 0.80 JAK1 (0.37) MAPK8MAPK9ADORA3MAPK10CHEK1
SCHEMBL19665747 0.80 MAPK8 (0.37) MAPK8MAPK9ADORA3MAPK10
SCHEMBL29290162 0.80 JAK1 (0.35) STK17BSTK17AMAPK8MAPK9ADORA3
SCHEMBL28639902 0.74 JAK3 (0.38) MAPK8MAPK9ADORA3MAPK10

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 11 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
CN-109563095-A Animal and people's anti-malarial agents 细胞基因公司 2019-04-02 CN 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 SIRT5 2163/4885STK17B 3629/4885STK17A 3295/4885
US-20170348316-A1 ANIMAL AND HUMAN ANTI-MALARIAL AGENTS HPRT1, NUDT1, UMPS SIRT5 2434/4885STK17B 3111/4885STK17A 2909/4885
US-10420771-B2 Animal and human anti-malarial agents HPRT1, UMPS, PNP SIRT5 2151/4885STK17B 3617/4885STK17A 3241/4885
US-10736899-B2 Animal and human anti-malarial agents HPRT1, UMPS, PNP SIRT5 2163/4885STK17B 3629/4885STK17A 3295/4885
US-10016436-B2 Animal and human anti-malarial agents HPRT1, NUDT1, UMPS SIRT5 2434/4885STK17B 3111/4885STK17A 2909/4885
US-11344554-B2 Animal and human anti-malarial agents HPRT1, UMPS, PNP SIRT5 2163/4885STK17B 3629/4885STK17A 3295/4885
US-20180280398-A1 ANIMAL AND HUMAN ANTI-MALARIAL AGENTS HPRT1, UMPS, PNP SIRT5 2163/4885STK17B 3629/4885STK17A 3295/4885

“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.