SCHEMBL23993628

SCHEMBL23993628

CC(C)[C@H]1C[C@@H]1c1cc2c(cn1)cnn2CC(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 5/20 0.34
▸ RIPK1 Q13546 1/20 0.33
▸ HTR2A P28223 2/20 0.32
▸ HTR2C P28335 2/20 0.32
▸ PIM1 P11309 4/20 0.31
▸ PIM3 Q86V86 4/20 0.31
▸ PIM2 Q9P1W9 4/20 0.31
▸ PIK3CD O00329 1/20 0.31
▸ PIK3CA P42336 1/20 0.31
▸ PIK3CG P48736 1/20 0.31
▸ MAPK1 P28482 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
SCHEMBL23994572 1.00 NT5E (0.34) NT5ERIPK1HTR2AHTR2CPIM1
SCHEMBL23995368 0.85 KCNJ6 (0.39) NT5ERIPK1PIM1PIM3PIM2
SCHEMBL23994573 0.82 NT5E (0.36) NT5ERIPK1PIM1PIM3PIM2
SCHEMBL23994564 0.81 HTR2A (0.39) HTR2AHTR2CMAPK1
SCHEMBL23994600 0.80 PDE10A (0.35) HTR2AHTR2C
SCHEMBL23994565 0.80 HTR2A (0.33) HTR2AHTR2C
SCHEMBL23994561 0.79 RIPK1 (0.34) NT5ERIPK1PIM1PIM3PIM2
SCHEMBL23995271 0.79 HTR2A (0.39) HTR2AHTR2CMAPK1
SCHEMBL23995512 0.78 NT5E (0.36) NT5ERIPK1PIM1PIM3PIM2
SCHEMBL25004508 0.77 HTR2A (0.33) HTR2AHTR2CMAPK1

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-20230039553-A1 CD73 COMPOUNDS GILEAD SCIENCES, INC. 2023-02-09 — — US disclosed
WO-2021222522-A1 CD73 INHIBITING 2,4-DIOXOPYRIMIDINE COMPOUNDS GILEAD SCIENCES, INC. (US) 2021-11-04 — — 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-20230039553-A1 CD73 COMPOUNDS ENTPD5, ENTPD1, NT5E NT5E 3/4885RIPK1 3077/4885HTR2A 1593/4885

“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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