SCHEMBL23906578

SCHEMBL23906578

Fc1cc(F)c(-c2nccc(Nc3ccnc(Nc4ccc(N5CCC(N6CCCC6)CC5)cc4)n3)n2)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 1/20 0.45
▸ AURKB Q96GD4 1/20 0.45
▸ IGF1R P08069 5/20 0.45
▸ BRD4 O60885 1/20 0.44
▸ PLK4 O00444 1/20 0.43
▸ JAK2 O60674 6/20 0.42
▸ JAK3 P52333 6/20 0.42
▸ EGFR P00533 2/20 0.42
▸ INSR P06213 1/20 0.42
▸ MAPK14 Q16539 1/20 0.42
▸ EPHB4 P54760 1/20 0.41
▸ JAK1 P23458 4/20 0.40
▸ GALR1 P47211 1/20 0.40
▸ L3MBTL3 Q96JM7 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ WEE1 P30291 2/20 0.38
▸ ALK Q9UM73 1/20 0.38

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
SCHEMBL30086454 1.00 AURKA (0.45) AURKAAURKBIGF1RBRD4PLK4
SCHEMBL23906605 0.93 BRD4 (0.51) AURKAAURKBIGF1RBRD4JAK2
SCHEMBL30086559 0.93 BRD4 (0.51) AURKAAURKBIGF1RBRD4JAK2
SCHEMBL30086424 0.91 IGF1R (0.46) AURKAAURKBIGF1RBRD4PLK4
SCHEMBL23906723 0.91 IGF1R (0.46) AURKAAURKBIGF1RBRD4PLK4
SCHEMBL23906607 0.87 AXL (0.46) AURKAAURKBIGF1RBRD4PLK4
SCHEMBL30086484 0.87 AXL (0.46) AURKAAURKBIGF1RBRD4PLK4
SCHEMBL23906829 0.87 AURKA (0.61) AURKAAURKBIGF1RPLK4JAK2
SCHEMBL30086392 0.87 AURKA (0.61) AURKAAURKBIGF1RPLK4JAK2
SCHEMBL23887576 0.86 AURKA (0.48) AURKAAURKBIGF1RBRD4PLK4

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

“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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