SCHEMBL23527140

SCHEMBL23527140

Cn1c(=O)c(C#N)c(C(F)(F)F)c2nc(Br)ccc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.34
▸ KDM4E B2RXH2 3/20 0.34
▸ LMNA P02545 1/20 0.34
▸ DGKZ Q13574 6/20 0.33
▸ DGKA P23743 4/20 0.33
▸ MAPK1 P28482 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ CRHBP P24387 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CRHR2 Q13324 1/20 0.32
▸ CTSK P43235 1/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.31
▸ HSD17B10 Q99714 2/20 0.30
▸ HPGD P15428 1/20 0.30
▸ CASP1 P29466 1/20 0.30
▸ GRM2 Q14416 1/20 0.30
▸ DGKI O75912 1/20 0.30
▸ DGKG P49619 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
SCHEMBL30766212 0.80 ALDH1A1 (0.36) ALDH1A1KDM4ELMNADGKZDGKA
SCHEMBL30616752 0.80 ALDH1A1 (0.40) ALDH1A1KDM4ELMNADGKZDGKA
SCHEMBL23293587 0.80 ALDH1A1 (0.40) ALDH1A1KDM4ELMNADGKZDGKA
SCHEMBL23802531 0.80 ALDH1A1 (0.36) ALDH1A1KDM4ELMNADGKZDGKA
SCHEMBL30910878 0.78 ALDH1A1 (0.32) ALDH1A1KDM4ELMNADGKZDGKA
SCHEMBL21831273 0.78 ALDH1A1 (0.32) ALDH1A1KDM4ELMNADGKZDGKA
SCHEMBL23293492 0.75 DGKA (0.44) ALDH1A1KDM4EDGKZDGKAHSD17B10
SCHEMBL30616716 0.75 DGKA (0.44) ALDH1A1KDM4EDGKZDGKAHSD17B10
Trifluoroacetic Acid SCHEMBL23293536 0.75 DGKA (0.39) DGKZDGKADGKIDGKGDGKK
SCHEMBL30766166 0.72 DGKA (0.35) ALDH1A1KDM4ELMNADGKZDGKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11964973-B2 Substituted bicyclic compounds useful as T cell activators BRISTOL-MYERS SQUIBB COMPANY (US) 2024-04-23 — — US disclosed
US-20230086933-A1 SUBSTITUTED HETEROARYL COMPOUNDS USEFUL AS T CELL ACTIVATORS BRISTOL-MYERS SQUIBB COMPANY 2023-03-23 — — US disclosed
EP-4081524-A1 SUBSTITUTED HETEROARYL COMPOUNDS USEFUL AS T CELL ACTIVATORS Bristol-Myers Squibb Company (US) 2022-11-02 — — EP disclosed
WO-2021133752-A1 SUBSTITUTED HETEROARYL COMPOUNDS USEFUL AS T CELL ACTIVATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2021-07-01 — — WO disclosed
US-20210188845-A1 SUBSTITUTED BICYCLIC COMPOUNDS USEFUL AS T CELL ACTIVATORS BRISTOL-MYERS SQUIBB COMPANY 2021-06-24 — — 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 (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-20230086933-A1 SUBSTITUTED HETEROARYL COMPOUNDS USEFUL AS T CELL ACTIVATORS DGKA, DGKG, DGKZ ALDH1A1 4675/4885KDM4E 2895/4885LMNA 3783/4885
US-20210188845-A1 SUBSTITUTED BICYCLIC COMPOUNDS USEFUL AS T CELL ACTIVATORS DGKA, DGKZ, DGKK ALDH1A1 4765/4885KDM4E 2817/4885LMNA 3445/4885
US-11964973-B2 Substituted bicyclic compounds useful as T cell activators DGKA, DGKZ, DGKK ALDH1A1 4765/4885KDM4E 2817/4885LMNA 3445/4885

“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.

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