SCHEMBL23906271

SCHEMBL23906271

CC[C@H](C)OC(=O)CC1CNCCN1c1ccc(Nc2nccc(Nc3ccnc(-c4cccc(C)n4)n3)n2)cc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ WEE1 P30291 5/20 0.36
▸ JAK2 O60674 4/20 0.34
▸ JAK3 P52333 4/20 0.34
▸ JAK1 P23458 2/20 0.34
▸ IGF1R P08069 4/20 0.33
▸ EGFR P00533 2/20 0.33
▸ ADRB1 P08588 1/20 0.33
▸ ROCK2 O75116 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ SYK P43405 1/20 0.33
▸ FLT3 P36888 1/20 0.32
▸ ALK Q9UM73 1/20 0.32
▸ AURKA O14965 1/20 0.32
▸ MAPK8 P45983 1/20 0.32

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
SCHEMBL30086366 1.00 WEE1 (0.36) WEE1JAK2JAK3JAK1IGF1R
SCHEMBL25261572 1.00 WEE1 (0.36) WEE1JAK2JAK3JAK1IGF1R
SCHEMBL30086249 1.00 WEE1 (0.36) WEE1JAK2JAK3JAK1IGF1R
SCHEMBL23906837 1.00 WEE1 (0.36) WEE1JAK2JAK3JAK1IGF1R
SCHEMBL30086305 0.91 WEE1 (0.38) WEE1JAK2JAK3JAK1IGF1R
SCHEMBL23906909 0.91 WEE1 (0.38) WEE1JAK2JAK3JAK1IGF1R
SCHEMBL30086317 0.91 WEE1 (0.39) WEE1JAK2JAK3JAK1IGF1R
SCHEMBL23906696 0.91 WEE1 (0.39) WEE1JAK2JAK3JAK1IGF1R
SCHEMBL23906881 0.90 WEE1 (0.36) WEE1JAK2JAK3JAK1IGF1R
SCHEMBL30086861 0.90 WEE1 (0.36) WEE1JAK2JAK3JAK1IGF1R

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 WEE1 715/4885JAK2 1187/4885JAK3 1474/4885
US-20230399312-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE ALK, TYMP, ENTPD5 WEE1 715/4885JAK2 1187/4885JAK3 1474/4885

“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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