SCHEMBL23906589

SCHEMBL23906589

COC(=O)C1CNCCN1c1ccc(Nc2nccc(Nc3ccnc(-c4cccc(C)n4)n3)n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 3/20 0.38
▸ JAK3 P52333 2/20 0.38
▸ EGFR P00533 2/20 0.38
▸ AURKA O14965 5/20 0.37
▸ IGF1R P08069 2/20 0.36
▸ MAPK8 P45983 1/20 0.36
▸ AURKB Q96GD4 1/20 0.36
▸ CCNT1 O60563 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ CDK7 P50613 1/20 0.36
▸ CDK9 P50750 1/20 0.36
▸ PLK4 O00444 1/20 0.35
▸ WEE1 P30291 3/20 0.35
▸ IKBKB O14920 1/20 0.35
▸ CHUK O15111 1/20 0.35
▸ ALK Q9UM73 1/20 0.34
▸ PLK1 P53350 1/20 0.34

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
SCHEMBL30086710 1.00 JAK2 (0.38) JAK2JAK3EGFRAURKAIGF1R
SCHEMBL25270149 0.90 JAK2 (0.34) JAK2JAK3EGFRAURKAIGF1R
SCHEMBL30086344 0.90 JAK2 (0.34) JAK2JAK3EGFRAURKAIGF1R
SCHEMBL25219307 0.90 JAK2 (0.34) JAK2JAK3EGFRAURKAIGF1R
SCHEMBL25222877 0.88 ABL1 (0.38) AURKAIGF1RAURKBIKBKBCHUK
SCHEMBL23906696 0.87 WEE1 (0.39) JAK2JAK3EGFRAURKAIGF1R
SCHEMBL30086317 0.87 WEE1 (0.39) JAK2JAK3EGFRAURKAIGF1R
SCHEMBL28965331 0.87 JAK2 (0.37) JAK2JAK3EGFRAURKAIGF1R
SCHEMBL25221254 0.86 WEE1 (0.45) JAK2JAK3EGFRAURKAIGF1R
SCHEMBL25251762 0.86 WEE1 (0.45) JAK2JAK3EGFRAURKAIGF1R

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 JAK2 1187/4885JAK3 1474/4885EGFR 545/4885
US-20230399312-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE ALK, TYMP, ENTPD5 JAK2 1187/4885JAK3 1474/4885EGFR 545/4885

“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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