SCHEMBL23906261

SCHEMBL23906261

Cc1cccc(-c2nccc(Nc3ccnc(Nc4ccc(N5CCC(CNCc6ccccc6)CC5)cc4)n3)n2)n1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PLK4 O00444 2/20 0.50
▸ JAK2 O60674 5/20 0.43
▸ JAK3 P52333 2/20 0.43
▸ EGFR P00533 1/20 0.43
▸ IGF1R P08069 4/20 0.42
▸ AURKA O14965 2/20 0.42
▸ MAPK8 P45983 1/20 0.42
▸ LRRK2 Q5S007 1/20 0.41
▸ STAT6 P42226 2/20 0.41
▸ AURKB Q96GD4 1/20 0.40
▸ GSK3B P49841 1/20 0.40
▸ PLK1 P53350 2/20 0.39
▸ ALK Q9UM73 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38

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
SCHEMBL30086929 1.00 PLK4 (0.50) PLK4JAK2JAK3EGFRIGF1R
SCHEMBL23906841 0.91 PLK4 (0.42) PLK4JAK2JAK3EGFRIGF1R
SCHEMBL30086485 0.91 PLK4 (0.42) PLK4JAK2JAK3EGFRIGF1R
SCHEMBL30086952 0.89 PLK4 (0.51) PLK4JAK2JAK3EGFRIGF1R
SCHEMBL23906265 0.89 PLK4 (0.51) PLK4JAK2JAK3EGFRIGF1R
SCHEMBL25273514 0.88 JAK2 (0.44) PLK4JAK2JAK3EGFRIGF1R
SCHEMBL30086480 0.88 JAK2 (0.44) PLK4JAK2JAK3EGFRIGF1R
SCHEMBL25222783 0.86 JAK2 (0.48) PLK4JAK2JAK3EGFRIGF1R
SCHEMBL30086368 0.86 JAK2 (0.48) PLK4JAK2JAK3EGFRIGF1R
SCHEMBL23906625 0.84 PLK4 (0.46) 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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