SCHEMBL29819954

SCHEMBL29819954

COC(=O)[C@H]1C[C@H](O[Si](C)(C)C(C)(C)C)CN1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.33
CHRNA4 P43681 2/20 0.33
PIM1 P11309 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
P2RX3 P56373 1/20 0.32
CHEK2 O96017 2/20 0.31
PPM1D O15297 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL30591392 1.00 CHRNB2 (0.33) CHRNB2CHRNA4PIM1CHRNB4CHRNA3
SCHEMBL3428965 1.00 CHRNB2 (0.33) CHRNB2CHRNA4PIM1CHRNB4CHRNA3
SCHEMBL18610000 1.00 CHRNB2 (0.33) CHRNB2CHRNA4PIM1CHRNB4CHRNA3
SCHEMBL17239764 1.00 CHRNB2 (0.33) CHRNB2CHRNA4PIM1CHRNB4CHRNA3
SCHEMBL18474094 1.00 CHRNB2 (0.33) CHRNB2CHRNA4PIM1CHRNB4CHRNA3
SCHEMBL31436224 0.85 PIM2 (0.35) PPM1D
SCHEMBL4156977 0.84 CYP2D6 (0.42) PPM1D
SCHEMBL5343341 0.84 CYP2D6 (0.42) PPM1D
SCHEMBL15145321 0.84 CYP2D6 (0.42) PPM1D
SCHEMBL14865098 0.84 CYP2D6 (0.42) PPM1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11918582-B2 Pyrazole pyrimidine compounds and uses thereof RAPT THERAPEUTICS, INC. (US) 2024-03-05 US disclosed
US-20220305018-A1 PYRAZOLE PYRIMIDINE COMPOUNDS AND USES THEREOF RAPT THERAPEUTICS, INC. 2022-09-29 US disclosed
WO-2022197641-A1 1H-PYRAZOLO[3,4-D]PYRIMIDIN-6-YL-AMINE DERIVATIVES AS HEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) MODULATORS AND/OR INHIBITORS FOR THE TREATMENT OF CANCER AND OTHER DISEASES RAPT THERAPEUTICS, INC. (US) 2022-09-22 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 (2 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-11918582-B2 Pyrazole pyrimidine compounds and uses thereof DCK, MCL1, DTYMK CHRNB2 4329/4885CHRNA4 4618/4885PIM1 132/4885
US-20220305018-A1 PYRAZOLE PYRIMIDINE COMPOUNDS AND USES THEREOF DCK, MCL1, DTYMK CHRNB2 4329/4885CHRNA4 4618/4885PIM1 132/4885

“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.