SCHEMBL30086638

SCHEMBL30086638

Fc1ccc(-c2nccc(Nc3ccnc(Nc4ccc(N5CCOCC5)cc4)n3)n2)c(F)c1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PLK4 O00444 8/20 0.61
▸ IGF1R P08069 4/20 0.60
▸ AURKA O14965 2/20 0.55
▸ AURKB Q96GD4 1/20 0.55
▸ MAPK8 P45983 1/20 0.54
▸ JAK2 O60674 2/20 0.52
▸ JAK3 P52333 1/20 0.52
▸ PLK1 P53350 1/20 0.52
▸ SYK P43405 1/20 0.51
▸ RAF1 P04049 1/20 0.51
▸ PDGFRB P09619 1/20 0.51
▸ KIT P10721 1/20 0.51
▸ FGFR1 P11362 1/20 0.51
▸ BRAF P15056 1/20 0.51
▸ KDR P35968 1/20 0.51
▸ TEK Q02763 1/20 0.51
▸ EPHB4 P54760 1/20 0.49

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
SCHEMBL23906531 1.00 PLK4 (0.61) PLK4IGF1RAURKAAURKBMAPK8
SCHEMBL30086409 0.88 PLK4 (0.69) PLK4IGF1RAURKAAURKBMAPK8
SCHEMBL23906669 0.88 PLK4 (0.69) PLK4IGF1RAURKAAURKBMAPK8
SCHEMBL30086392 0.87 AURKA (0.61) PLK4IGF1RAURKAAURKBMAPK8
SCHEMBL23906829 0.87 AURKA (0.61) PLK4IGF1RAURKAAURKBMAPK8
SCHEMBL23906597 0.80 IGF1R (0.62) PLK4IGF1RAURKAAURKBMAPK8
SCHEMBL30086456 0.80 IGF1R (0.62) PLK4IGF1RAURKAAURKBMAPK8
SCHEMBL23887584 0.79 PLK4 (0.59) PLK4IGF1RAURKAAURKBMAPK8
SCHEMBL23906563 0.79 IGF1R (0.63) PLK4IGF1RAURKAAURKBMAPK8
SCHEMBL30086896 0.79 IGF1R (0.63) PLK4IGF1RAURKAAURKBMAPK8

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 3 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-11673879-B2 Substituted pyrimidines and methods of use THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-06-13 — — US disclosed
US-20220372015-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP, LLC (US) 2022-11-24 — — 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 (3 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-20220372015-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE ALK, TYMP, ENTPD5 PLK4 1890/4885IGF1R 558/4885AURKA 905/4885
US-11673879-B2 Substituted pyrimidines and methods of use ALK, TYMP, ENTPD5 PLK4 1890/4885IGF1R 558/4885AURKA 905/4885
US-20230399312-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE ALK, TYMP, ENTPD5 PLK4 1890/4885IGF1R 558/4885AURKA 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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