SCHEMBL23906723

SCHEMBL23906723

Fc1ccc(Cl)cc1-c1nccc(Nc2ccnc(Nc3ccc(N4CCC(N5CCCC5)CC4)cc3)n2)n1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 5/20 0.46
▸ AURKA O14965 1/20 0.44
▸ AURKB Q96GD4 1/20 0.44
▸ PLK4 O00444 4/20 0.44
▸ JAK2 O60674 4/20 0.44
▸ JAK3 P52333 4/20 0.44
▸ EGFR P00533 3/20 0.44
▸ BRD4 O60885 1/20 0.43
▸ INSR P06213 2/20 0.43
▸ MAPK14 Q16539 1/20 0.43
▸ JAK1 P23458 2/20 0.41
▸ GALR1 P47211 1/20 0.41
▸ EPHB4 P54760 1/20 0.40
▸ ERBB2 P04626 1/20 0.39
▸ L3MBTL3 Q96JM7 1/20 0.39
▸ L3MBTL1 Q9Y468 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
SCHEMBL30086424 1.00 IGF1R (0.46) IGF1RAURKAAURKBPLK4JAK2
SCHEMBL23906621 0.93 JAK2 (0.51) IGF1RAURKAAURKBPLK4JAK2
SCHEMBL30086282 0.93 JAK2 (0.51) IGF1RAURKAAURKBPLK4JAK2
SCHEMBL30086454 0.91 AURKA (0.45) IGF1RAURKAAURKBPLK4JAK2
SCHEMBL23906578 0.91 AURKA (0.45) IGF1RAURKAAURKBPLK4JAK2
SCHEMBL23906843 0.88 IGF1R (0.46) IGF1RAURKAAURKBPLK4JAK2
SCHEMBL30086287 0.88 IGF1R (0.46) IGF1RAURKAAURKBPLK4JAK2
SCHEMBL23906724 0.87 JAK2 (0.48) IGF1RAURKAAURKBPLK4JAK2
SCHEMBL30086522 0.87 JAK2 (0.48) IGF1RAURKAAURKBPLK4JAK2
SCHEMBL23906666 0.85 PLK4 (0.48) IGF1RAURKAAURKBPLK4JAK2

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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