SCHEMBL30086654

SCHEMBL30086654

Cc1cccc(-c2nccc(Nc3ccnc(Nc4ccc(N5CCNCC5CC(=O)OCC5CNC5)cc4)n3)n2)n1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ WEE1 P30291 4/20 0.36
▸ JAK2 O60674 5/20 0.35
▸ JAK3 P52333 5/20 0.35
▸ JAK1 P23458 3/20 0.35
▸ ADRB1 P08588 1/20 0.35
▸ IGF1R P08069 3/20 0.34
▸ EGFR P00533 2/20 0.34
▸ AURKA O14965 2/20 0.33
▸ AURKB Q96GD4 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ LRRK2 Q5S007 2/20 0.33
▸ MAPK8 P45983 1/20 0.33

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
SCHEMBL23906663 1.00 WEE1 (0.36) WEE1JAK2JAK3JAK1ADRB1
SCHEMBL23906909 0.93 WEE1 (0.38) WEE1JAK2JAK3JAK1ADRB1
SCHEMBL30086305 0.93 WEE1 (0.38) WEE1JAK2JAK3JAK1ADRB1
SCHEMBL30086317 0.92 WEE1 (0.39) WEE1JAK2JAK3JAK1ADRB1
SCHEMBL23906696 0.92 WEE1 (0.39) WEE1JAK2JAK3JAK1ADRB1
SCHEMBL23906881 0.90 WEE1 (0.36) WEE1JAK2JAK3JAK1ADRB1
SCHEMBL30086861 0.90 WEE1 (0.36) WEE1JAK2JAK3JAK1ADRB1
SCHEMBL25273042 0.90 JAK2 (0.37) WEE1JAK2JAK3JAK1ADRB1
SCHEMBL30086815 0.90 JAK2 (0.37) WEE1JAK2JAK3JAK1ADRB1
SCHEMBL23906537 0.89 WEE1 (0.39) WEE1JAK2JAK3JAK1ADRB1

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 3 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-11673879-B2 Substituted pyrimidines and methods of use THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-06-13 — — US disclosed
US-20220372015-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP, LLC (US) 2022-11-24 — — US 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 (3 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-20220372015-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE ALK, TYMP, ENTPD5 WEE1 715/4885JAK2 1187/4885JAK3 1474/4885
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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