SCHEMBL25709028

SCHEMBL25709028

Cc1nccc(Nc2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)n1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 4/20 0.76
▸ PLK4 O00444 6/20 0.74
▸ AURKA O14965 4/20 0.65
▸ AURKB Q96GD4 3/20 0.65
▸ PLK1 P53350 1/20 0.64
▸ MAPK8 P45983 2/20 0.61
▸ JAK2 O60674 5/20 0.59
▸ JAK3 P52333 3/20 0.59
▸ CDK4 P11802 2/20 0.58
▸ CDK2 P24941 2/20 0.58
▸ EPHB4 P54760 2/20 0.58
▸ TP53 P04637 1/20 0.57
▸ MAPT P10636 1/20 0.57
▸ MAPK1 P28482 1/20 0.57
▸ EGFR P00533 2/20 0.56
▸ CDC7 O00311 1/20 0.56
▸ CIT O14578 1/20 0.56
▸ CHEK1 O14757 1/20 0.56
▸ GAK O14976 1/20 0.56
▸ EPHB6 O15197 1/20 0.56

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
SCHEMBL11340146 0.86 IGF1R (1.00) IGF1RPLK4AURKAAURKBPLK1
SCHEMBL23887632 0.85 PLK4 (0.74) IGF1RPLK4AURKAAURKBPLK1
SCHEMBL30114937 0.85 PLK4 (0.74) IGF1RPLK4AURKAAURKBPLK1
SCHEMBL25222845 0.85 PLK4 (0.74) IGF1RPLK4AURKAAURKBPLK1
SCHEMBL11346367 0.84 PLK4 (0.72) IGF1RPLK4AURKAAURKBPLK1
SCHEMBL30086502 0.83 PLK4 (0.67) IGF1RPLK4AURKAAURKBPLK1
SCHEMBL25269921 0.83 PLK4 (0.67) IGF1RPLK4AURKAAURKBPLK1
SCHEMBL14079289 0.82 PLK4 (0.69) IGF1RPLK4AURKAAURKBPLK1
SCHEMBL23887678 0.82 PLK4 (0.65) IGF1RPLK4AURKAAURKBPLK1
SCHEMBL30086328 0.82 PLK4 (0.65) IGF1RPLK4AURKAAURKBPLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11673879-B2 Substituted pyrimidines and methods of use THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-06-13 — — 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 (1 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 IGF1R 558/4885PLK4 1890/4885AURKA 905/4885

“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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