SCHEMBL23906265

SCHEMBL23906265

Cc1cccc(-c2nccc(Nc3ccnc(Nc4ccc(N5CCC(NCc6ccccc6)CC5)cc4)n3)n2)n1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PLK4 O00444 2/20 0.51
▸ JAK2 O60674 5/20 0.45
▸ JAK3 P52333 2/20 0.45
▸ EGFR P00533 1/20 0.45
▸ IGF1R P08069 5/20 0.43
▸ AURKA O14965 2/20 0.41
▸ AURKB Q96GD4 1/20 0.41
▸ MAPK8 P45983 1/20 0.41
▸ GSK3B P49841 1/20 0.41
▸ STAT6 P42226 1/20 0.40
▸ ACHE P22303 2/20 0.39
▸ PLK1 P53350 1/20 0.39
▸ BACE1 P56817 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL30086952 1.00 PLK4 (0.51) PLK4JAK2JAK3EGFRIGF1R
SCHEMBL23906261 0.89 PLK4 (0.50) PLK4JAK2JAK3EGFRIGF1R
SCHEMBL30086929 0.89 PLK4 (0.50) PLK4JAK2JAK3EGFRIGF1R
SCHEMBL30086843 0.88 JAK2 (0.46) PLK4JAK2JAK3EGFRIGF1R
SCHEMBL23906532 0.88 JAK2 (0.46) PLK4JAK2JAK3EGFRIGF1R
SCHEMBL23906603 0.87 JAK2 (0.49) PLK4JAK2JAK3EGFRIGF1R
SCHEMBL30086256 0.87 JAK2 (0.49) PLK4JAK2JAK3EGFRIGF1R
SCHEMBL23906625 0.87 PLK4 (0.46) PLK4JAK2JAK3EGFRIGF1R
SCHEMBL30086627 0.87 PLK4 (0.46) PLK4JAK2JAK3EGFRIGF1R
SCHEMBL23906206 0.85 GSK3B (0.56) PLK4JAK2JAK3EGFRIGF1R

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-20230399312-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP LLC (US) 2023-12-14 — — US disclosed
US-20230399312-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP LLC (US) 2023-12-14 — — US disclosed
US-11673879-B2 Substituted pyrimidines and methods of use THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-06-13 — — US disclosed
US-11673879-B2 Substituted pyrimidines and methods of use THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-06-13 — — US disclosed
WO-2021203131-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-10-07 — — 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-11673879-B2 Substituted pyrimidines and methods of use ALK, TYMP, ENTPD5 PLK4 1890/4885JAK2 1187/4885JAK3 1474/4885
US-20230399312-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE ALK, TYMP, ENTPD5 PLK4 1890/4885JAK2 1187/4885JAK3 1474/4885

“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.

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