SCHEMBL30086686

SCHEMBL30086686

Cc1cccc(-c2nccc(Nc3ccnc(Nc4ccc(N5CCOCC5)cc4F)n3)n2)n1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 4/20 0.50
▸ PLK4 O00444 2/20 0.48
▸ AURKA O14965 2/20 0.46
▸ AURKB Q96GD4 1/20 0.46
▸ EPHB4 P54760 5/20 0.45
▸ JAK2 O60674 2/20 0.44
▸ JAK3 P52333 1/20 0.44
▸ MAPK10 P53779 3/20 0.44
▸ MAPK9 P45984 2/20 0.44
▸ MAPK8 P45983 2/20 0.43
▸ PLK1 P53350 1/20 0.43
▸ EGFR P00533 1/20 0.43

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
SCHEMBL23906697 1.00 IGF1R (0.50) IGF1RPLK4AURKAAURKBEPHB4
SCHEMBL23906833 0.90 IGF1R (0.50) IGF1RPLK4AURKAAURKBEPHB4
SCHEMBL30086958 0.90 IGF1R (0.50) IGF1RPLK4AURKAAURKBEPHB4
SCHEMBL30086534 0.88 EGFR (0.56) IGF1REGFR
SCHEMBL23906593 0.88 EGFR (0.56) IGF1REGFR
SCHEMBL23887678 0.86 PLK4 (0.65) IGF1RPLK4AURKAAURKBEPHB4
SCHEMBL30086328 0.86 PLK4 (0.65) IGF1RPLK4AURKAAURKBEPHB4
SCHEMBL23906917 0.84 JAK2 (0.51) IGF1RPLK4AURKAAURKBEPHB4
SCHEMBL30086450 0.84 JAK2 (0.51) IGF1RPLK4AURKAAURKBEPHB4
SCHEMBL23906230 0.84 CDK4 (0.51) IGF1RPLK4AURKAAURKBEPHB4

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 IGF1R 558/4885PLK4 1890/4885AURKA 905/4885
US-11673879-B2 Substituted pyrimidines and methods of use ALK, TYMP, ENTPD5 IGF1R 558/4885PLK4 1890/4885AURKA 905/4885
US-20230399312-A1 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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