SCHEMBL15913850

SCHEMBL15913850

O=C(O)N[C@@H]1CNC[C@H](F)C1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 9/20 0.33
CHRNA4 P43681 9/20 0.33
CHRNB4 P30926 8/20 0.33
CHRNA3 P32297 8/20 0.33
CHRNA7 P36544 8/20 0.33
IL1B P01584 4/20 0.32
DGAT2 Q96PD7 5/20 0.31
BTK Q06187 2/20 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
SCHEMBL21550362 1.00 CHRNB2 (0.33) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL25281149 1.00 CHRNB2 (0.33) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL25263000 0.85 CHRNB2 (0.39) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL477253 0.80
SCHEMBL18247609 0.79 PKM (0.38) IL1BDGAT2
SCHEMBL21813466 0.78
Hydrochloric Acid SCHEMBL5573261 0.78
Acetic Acid SCHEMBL28524681 0.78 HPSE (0.37) IL1BDGAT2
SCHEMBL23113716 0.78 EPHX2 (0.35) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL27212481 0.78 EPHX2 (0.35) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230219923-A1 KINASE INHIBITORS VIDYA THERAPEUTICS, INC. 2023-07-13 US disclosed
EP-4157446-A1 KINASE INHIBITORS GB002, Inc. (US) 2023-04-05 EP disclosed
EP-3267996-B1 PYRAZOLOPYRIMIDINE INHIBITORS OF IRAK4 ACTIVITY MERCK SHARP & DOHME (US) 2020-11-11 EP disclosed
US-10329294-B2 Pyrazolopyrimidine inhibitors of IRAK4 activity MERCK SHARP & DOHME CORP. (US) 2019-06-25 US disclosed
US-20180051028-A1 PYRAZOLOPYRIMIDINE INHIBITORS OF IRAK4 ACTIVITY MERCK SHARP & DOHME CORP. (US) 2018-02-22 US disclosed
US-9187486-B2 Bicyclic pyridazine compounds as Pim inhibitors AMGEN INC. (US) 2015-11-17 US disclosed
US-20140221344-A1 Bicyclic Pyridazine Compounds as PIM Inhibitors AMGEN INC. 2014-08-07 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 (4 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-10329294-B2 Pyrazolopyrimidine inhibitors of IRAK4 activity IRAK4, IRAK2, IRAK1 CHRNB2 4388/4885CHRNA4 3342/4885CHRNB4 3856/4885
US-20230219923-A1 KINASE INHIBITORS BTK, ABL1, LYN CHRNB2 4296/4885CHRNA4 4609/4885CHRNB4 4666/4885
US-20140221344-A1 Bicyclic Pyridazine Compounds as PIM Inhibitors PIM1, PIM2, PIM3 CHRNB2 4820/4885CHRNA4 4828/4885CHRNB4 4877/4885
US-20180051028-A1 PYRAZOLOPYRIMIDINE INHIBITORS OF IRAK4 ACTIVITY IRAK4, IRAK2, IRAK1 CHRNB2 4388/4885CHRNA4 3342/4885CHRNB4 3856/4885

“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.