SCHEMBL23906234

SCHEMBL23906234

Cc1cccc(-c2nccc(Nc3ccnc(Nc4ccc(CN5CCNCC5)cc4)n3)n2)n1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PLK4 O00444 1/20 0.49
▸ ABL1 P00519 4/20 0.46
▸ KIT P10721 4/20 0.46
▸ BCR P11274 2/20 0.46
▸ LRRK2 Q5S007 1/20 0.46
▸ ABL2 P42684 2/20 0.44
▸ PTK2 Q05397 2/20 0.41
▸ JAK2 O60674 8/20 0.41
▸ JAK3 P52333 6/20 0.41
▸ KCNH2 Q12809 1/20 0.40
▸ CACNA1C Q13936 1/20 0.40
▸ ASIC3 Q9UHC3 1/20 0.40
▸ CXCR4 P61073 2/20 0.39
▸ EGFR P00533 1/20 0.39
▸ DYRK2 Q92630 1/20 0.39
▸ GSK3B P49841 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
SCHEMBL30086466 1.00 PLK4 (0.49) PLK4ABL1KITBCRLRRK2
SCHEMBL25222839 0.96 PLK4 (0.47) PLK4ABL1KITBCRLRRK2
SCHEMBL30086299 0.96 PLK4 (0.47) PLK4ABL1KITBCRLRRK2
SCHEMBL30086601 0.91 ACVR1 (0.46) PLK4ABL1KITBCRLRRK2
SCHEMBL23906679 0.91 ACVR1 (0.46) PLK4ABL1KITBCRLRRK2
SCHEMBL23906211 0.91 GSK3B (0.47) PLK4KITJAK2JAK3GSK3B
SCHEMBL30086842 0.91 GSK3B (0.47) PLK4KITJAK2JAK3GSK3B
SCHEMBL25702920 0.91 JAK2 (0.51) JAK2JAK3EGFRGSK3B
SCHEMBL30086921 0.90 JAK2 (0.52) PLK4ABL1KITBCRABL2
SCHEMBL23906923 0.90 JAK2 (0.52) PLK4ABL1KITBCRABL2

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 1890/4885ABL1 124/4885KIT 58/4885
US-20230399312-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE ALK, TYMP, ENTPD5 PLK4 1890/4885ABL1 124/4885KIT 58/4885

“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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