SCHEMBL30086305

SCHEMBL30086305

CCOC(=O)CC1CNCCN1c1ccc(Nc2nccc(Nc3ccnc(-c4cccc(C)n4)n3)n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ WEE1 P30291 4/20 0.38
▸ HSP90AA1 P07900 1/20 0.36
▸ HSP90AB1 P08238 1/20 0.36
▸ CDK4 P11802 4/20 0.35
▸ JAK3 P52333 3/20 0.35
▸ CCNA2 P20248 3/20 0.35
▸ CCND1 P24385 3/20 0.35
▸ CDK2 P24941 3/20 0.35
▸ JAK2 O60674 2/20 0.35
▸ CCND3 P30281 2/20 0.35
▸ CCND2 P30279 1/20 0.35
▸ CCNA1 P78396 1/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ EGFR P00533 1/20 0.35
▸ ADRB1 P08588 1/20 0.35
▸ ROCK2 O75116 1/20 0.35
▸ IGF1R P08069 3/20 0.35
▸ FGFR1 P11362 2/20 0.35
▸ FGFR2 P21802 2/20 0.35
▸ FGFR4 P22455 2/20 0.35

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
SCHEMBL23906909 1.00 WEE1 (0.38) WEE1HSP90AA1HSP90AB1CDK4JAK3
SCHEMBL23906696 0.94 WEE1 (0.39) WEE1JAK3CDK2JAK2JAK1
SCHEMBL30086317 0.94 WEE1 (0.39) WEE1JAK3CDK2JAK2JAK1
SCHEMBL30086654 0.93 WEE1 (0.36) WEE1JAK3JAK2JAK1EGFR
SCHEMBL23906881 0.93 WEE1 (0.36) WEE1JAK3CCNA2CDK2JAK2
SCHEMBL30086861 0.93 WEE1 (0.36) WEE1JAK3CCNA2CDK2JAK2
SCHEMBL23906663 0.93 WEE1 (0.36) WEE1JAK3JAK2JAK1EGFR
SCHEMBL25273042 0.91 JAK2 (0.37) WEE1JAK3JAK2JAK1EGFR
SCHEMBL30086815 0.91 JAK2 (0.37) WEE1JAK3JAK2JAK1EGFR
SCHEMBL23906537 0.91 WEE1 (0.39) WEE1JAK3CDK2JAK2JAK1

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 715/4885HSP90AA1 4126/4885HSP90AB1 3493/4885
US-11673879-B2 Substituted pyrimidines and methods of use ALK, TYMP, ENTPD5 WEE1 715/4885HSP90AA1 4126/4885HSP90AB1 3493/4885
US-20230399312-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE ALK, TYMP, ENTPD5 WEE1 715/4885HSP90AA1 4126/4885HSP90AB1 3493/4885

“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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