SCHEMBL23906833

SCHEMBL23906833

Cc1cccc(-c2nccc(Nc3ccnc(Nc4ccc(N5CCOCC5)cc4O)n3)n2)n1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 4/20 0.50
▸ AURKA O14965 2/20 0.48
▸ AURKB Q96GD4 1/20 0.48
▸ PLK4 O00444 2/20 0.48
▸ JAK2 O60674 4/20 0.46
▸ JAK3 P52333 2/20 0.46
▸ MAPK8 P45983 2/20 0.45
▸ EPHB4 P54760 5/20 0.45
▸ EGFR P00533 1/20 0.45
▸ PLK1 P53350 1/20 0.43
▸ MAPK10 P53779 1/20 0.42

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
SCHEMBL30086958 1.00 IGF1R (0.50) IGF1RAURKAAURKBPLK4JAK2
SCHEMBL23906697 0.90 IGF1R (0.50) IGF1RAURKAAURKBPLK4JAK2
SCHEMBL30086686 0.90 IGF1R (0.50) IGF1RAURKAAURKBPLK4JAK2
SCHEMBL30086534 0.88 EGFR (0.56) IGF1REGFR
SCHEMBL23906593 0.88 EGFR (0.56) IGF1REGFR
SCHEMBL23887678 0.86 PLK4 (0.65) IGF1RAURKAAURKBPLK4JAK2
SCHEMBL30086328 0.86 PLK4 (0.65) IGF1RAURKAAURKBPLK4JAK2
SCHEMBL23906230 0.84 CDK4 (0.51) IGF1RAURKAAURKBPLK4JAK2
SCHEMBL30086476 0.84 CDK4 (0.51) IGF1RAURKAAURKBPLK4JAK2
SCHEMBL28965387 0.83 EPHB4 (0.53) IGF1RAURKAAURKBPLK4MAPK8

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 IGF1R 558/4885AURKA 905/4885AURKB 149/4885
US-20230399312-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE ALK, TYMP, ENTPD5 IGF1R 558/4885AURKA 905/4885AURKB 149/4885

“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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