SCHEMBL23600987

SCHEMBL23600987

CN(c1cccc(C#CC(C)(C)O)c1)c1nc2nnc(Cl)n2c2cc(Cl)ccc12

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.36
TBXAS1 P24557 1/20 0.36
CSNK2A2 P19784 1/20 0.32
CSNK2B P67870 1/20 0.32
MAT2A P31153 4/20 0.31
PRMT5 O14744 1/20 0.31
TTBK1 Q5TCY1 1/20 0.31
MAP3K14 Q99558 2/20 0.30
EGFR P00533 1/20 0.30
CSF1R P07333 1/20 0.30
TNIK Q9UKE5 1/20 0.30

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
SCHEMBL31169429 1.00 PTGES (0.36) PTGESTBXAS1CSNK2A2CSNK2BMAT2A
SCHEMBL24807718 0.85 PTGES (0.36) PTGESTBXAS1CSNK2A2CSNK2BMAT2A
SCHEMBL30146559 0.85 PTGES (0.36) PTGESTBXAS1CSNK2A2CSNK2BMAT2A
SCHEMBL23601039 0.85 PTGES (0.36) PTGESTBXAS1CSNK2A2CSNK2BMAT2A
SCHEMBL29909941 0.83 ABCG2 (0.31)
SCHEMBL24806326 0.83 PTGES (0.36) PTGESTBXAS1CSNK2A2CSNK2BMAT2A
SCHEMBL30146525 0.83 PTGES (0.36) PTGESTBXAS1CSNK2A2CSNK2BMAT2A
SCHEMBL30095528 0.81 MAT2A (0.54) PTGESTBXAS1CSNK2A2CSNK2BMAT2A
SCHEMBL24808393 0.81 MAT2A (0.54) PTGESTBXAS1CSNK2A2CSNK2BMAT2A
SCHEMBL29909728 0.81 ABCG2 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220324866-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS GILEAD SCIENCES, INC. 2022-10-13 US disclosed
WO-2021130638-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS CARNA BIOSCIENCES, INC. (JP) 2021-07-01 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 (1 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-20220324866-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS DGKG, DGKB, DGKK PTGES 1780/4885TBXAS1 849/4885CSNK2A2 1116/4885

“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.