SCHEMBL23407883

SCHEMBL23407883

CNCCN(C)C1CCN(C)CC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
PRMT6 Q96LA8 4/20 0.38
PRMT1 Q99873 4/20 0.38
CARM1 Q86X55 3/20 0.38
PRMT8 Q9NR22 3/20 0.38
PRMT3 O60678 1/20 0.38
NOS2 P35228 6/20 0.38
NOS3 P29474 5/20 0.38
NOS1 P29475 5/20 0.38
KMT2A Q03164 1/20 0.36
NCF1 P14598 1/20 0.33

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
SCHEMBL25122581 0.89 KDM4E (0.37) KDM4EALDH1A1PRMT6PRMT1CARM1
SCHEMBL12478430 0.83
SCHEMBL12478238 0.81 PRMT1 (0.46) KDM4EPRMT6PRMT1CARM1PRMT8
SCHEMBL8334637 0.79 PRMT1 (0.44) KDM4EPRMT6PRMT1CARM1PRMT8
SCHEMBL14980283 0.78 KDM4E (0.41) KDM4EALDH1A1NOS2NOS3NOS1
SCHEMBL2002550 0.78 PRMT1 (0.42) KDM4EPRMT6PRMT1CARM1PRMT8
SCHEMBL13162838 0.78 KDM4E (0.41) KDM4EALDH1A1NOS2NOS3NOS1
SCHEMBL21167214 0.78 KDM4E (0.41) KDM4EALDH1A1KMT2A
SCHEMBL17059856 0.77 DRD3 (0.38)
SCHEMBL13209122 0.76 KDM4E (0.41) KDM4EALDH1A1NOS2NOS3NOS1

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-20230218597-A1 SUBSTITUTED PYRIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP LLC (US) 2023-07-13 US disclosed
US-20230218597-A1 SUBSTITUTED PYRIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP LLC (US) 2023-07-13 US disclosed
US-11590116-B2 Substituted pyridines and methods of use THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-02-28 US disclosed
WO-2021102468-A1 SUBSTITUTED 1,5-NAPHTHYRIDINES OR QUINOLINES AS ALK5 INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-05-27 WO disclosed
US-20210154179-A1 SUBSTITUTED PYRIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-05-27 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-20210154179-A1 SUBSTITUTED PYRIDINES AND METHODS OF USE ALK, ACVR1, ACVR2A KDM4E 946/4885ALDH1A1 2453/4885PRMT6 1221/4885
US-20230218597-A1 SUBSTITUTED PYRIDINES AND METHODS OF USE ALK, ACVR1, ACVR2A KDM4E 946/4885ALDH1A1 2453/4885PRMT6 1221/4885
US-11590116-B2 Substituted pyridines and methods of use ALK, ACVR1, ACVR2A KDM4E 946/4885ALDH1A1 2453/4885PRMT6 1221/4885

“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.