SCHEMBL23524643

SCHEMBL23524643

CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)[C@H](C)C1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.55
HTT P42858 2/20 0.55
MEN1 O00255 1/20 0.55
MAPK1 P28482 1/20 0.55
KMT2A Q03164 1/20 0.55
ALDH1A1 P00352 7/20 0.53
HPGD P15428 2/20 0.53
TP53 P04637 1/20 0.46
LMNA P02545 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
GFER P55789 1/20 0.46
AKR1C3 P42330 1/20 0.45
OPRK1 P41145 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL23444413 1.00 MAPT (0.55) MAPTHTTMEN1MAPK1KMT2A
SCHEMBL23524639 0.89 MAPT (0.55) MAPTHTTMEN1MAPK1KMT2A
SCHEMBL6912775 0.89 MAPT (0.55) MAPTHTTMEN1MAPK1KMT2A
SCHEMBL17636790 0.83 MAPT (0.67) MAPTHTTMEN1MAPK1KMT2A
SCHEMBL6910042 0.83 MAPT (0.67) MAPTHTTMEN1MAPK1KMT2A
SCHEMBL17626047 0.83 MAPT (0.67) MAPTHTTMEN1MAPK1KMT2A
SCHEMBL10499592 0.81 GFER (0.50) MAPTHTTMEN1MAPK1KMT2A
SCHEMBL29748882 0.81 SLC6A7 (0.54) MAPTHTTMEN1MAPK1KMT2A
SCHEMBL28957927 0.81 MAPT (0.52) MAPTHTTMEN1MAPK1KMT2A
SCHEMBL13605091 0.80 GFER (0.58) MAPTHTTMEN1MAPK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11697648-B2 Fused pyrimidine pyridinone compounds as JAK inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-07-11 US disclosed
US-11697648-B2 Fused pyrimidine pyridinone compounds as JAK inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-07-11 US disclosed
US-11697648-B2 Fused pyrimidine pyridinone compounds as JAK inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-07-11 US disclosed
CN-114901659-A Fused pyrimidinone compounds as JAK inhibitors 施万生物制药研发IP有限责任公司 2022-08-12 CN disclosed
US-20210188844-A1 FUSED PYRIMIDINE PYRIDINONE COMPOUNDS AS JAK INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-06-24 US disclosed
US-20210188844-A1 FUSED PYRIMIDINE PYRIDINONE COMPOUNDS AS JAK INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 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 (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-20210188844-A1 FUSED PYRIMIDINE PYRIDINONE COMPOUNDS AS JAK INHIBITORS JAK3, JAK1, JAK2 MAPT 3409/4885HTT 4020/4885MEN1 4006/4885
US-11697648-B2 Fused pyrimidine pyridinone compounds as JAK inhibitors JAK3, JAK1, JAK2 MAPT 3409/4885HTT 4020/4885MEN1 4006/4885

“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.