SCHEMBL22102449

SCHEMBL22102449

Cc1cnc2n1CCCN2

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.42
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.37
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
TGFBR1 P36897 1/20 0.34
HPGD P15428 1/20 0.33
MAPK10 P53779 1/20 0.33
HSD17B10 Q99714 1/20 0.33
RAB9A P51151 1/20 0.31
CYP1A2 P05177 1/20 0.30
SMN1; SMN2 Q16637 2/20 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
SCHEMBL22102661 0.88
SCHEMBL23022340 0.77 GFER (0.42) GFERKDM4EALDH1A1POLBPSEN1
SCHEMBL22050615 0.77 GFER (0.39) GFERKDM4EALDH1A1POLBPSEN1
SCHEMBL10183066 0.77 GFER (0.39) GFERKDM4EALDH1A1POLBPSEN1
SCHEMBL25909778 0.73 KDM4E (0.44) GFERKDM4EALDH1A1POLBHPGD
SCHEMBL16370050 0.72 KDM4E (0.40) GFERKDM4EALDH1A1POLBHPGD
SCHEMBL25913034 0.72 KDM4E (0.47) GFERKDM4EALDH1A1POLBHPGD
SCHEMBL10183041 0.72 KDM4E (0.36) GFERKDM4EALDH1A1POLBHPGD
SCHEMBL23132318 0.70 MAPK1 (0.33)
SCHEMBL25084601 0.69 GFER (0.34) GFERKDM4EALDH1A1POLBPSEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11730720-B2 ALK5 inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-08-22 US disclosed
US-11730720-B2 ALK5 inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-08-22 US disclosed
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
US-20210154179-A1 SUBSTITUTED PYRIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-05-27 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-20210154178-A1 ALK5 INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-05-27 US disclosed
WO-2020123453-A2 ALK5 INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2020-06-18 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 (5 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 GFER 3702/4885KDM4E 946/4885ALDH1A1 2453/4885
US-20210154178-A1 ALK5 INHIBITORS ALK, ACVR1, ACVRL1 GFER 3540/4885KDM4E 997/4885ALDH1A1 3284/4885
US-11730720-B2 ALK5 inhibitors ALK, ACVR1, ACVRL1 GFER 3540/4885KDM4E 997/4885ALDH1A1 3284/4885
US-20230218597-A1 SUBSTITUTED PYRIDINES AND METHODS OF USE ALK, ACVR1, ACVR2A GFER 3702/4885KDM4E 946/4885ALDH1A1 2453/4885
US-11590116-B2 Substituted pyridines and methods of use ALK, ACVR1, ACVR2A GFER 3702/4885KDM4E 946/4885ALDH1A1 2453/4885

“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.