Sugi Predict

Sugi Predict / Compounds / SCHEMBL23906537

SCHEMBL23906537

SCHEMBL23906537

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ WEE1 P30291 4/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39
▸ AURKA O14965 3/20 0.38
▸ AURKB Q96GD4 1/20 0.38
▸ MAPK8 P45983 1/20 0.37
▸ JAK2 O60674 4/20 0.37
▸ JAK3 P52333 3/20 0.37
▸ EGFR P00533 2/20 0.37
▸ ADRB1 P08588 1/20 0.37
▸ PLK4 O00444 1/20 0.37
▸ IGF1R P08069 2/20 0.36
▸ JAK1 P23458 1/20 0.35
▸ CCNT1 O60563 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ CDK7 P50613 1/20 0.35
▸ CDK9 P50750 1/20 0.35
▸ ROCK2 O75116 1/20 0.35
▸ NPC1 O15118 1/20 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
SCHEMBL30086975 1.00 WEE1 (0.39) WEE1SLC6A2SLC6A4SLC6A3AURKA
SCHEMBL23906696 0.92 WEE1 (0.39) WEE1SLC6A2SLC6A4SLC6A3AURKA
SCHEMBL30086317 0.92 WEE1 (0.39) WEE1SLC6A2SLC6A4SLC6A3AURKA
SCHEMBL30086305 0.91 WEE1 (0.38) WEE1SLC6A2SLC6A4SLC6A3AURKA
SCHEMBL23906909 0.91 WEE1 (0.38) WEE1SLC6A2SLC6A4SLC6A3AURKA
SCHEMBL25273042 0.90 JAK2 (0.37) WEE1SLC6A2SLC6A4SLC6A3AURKA
SCHEMBL30086815 0.90 JAK2 (0.37) WEE1SLC6A2SLC6A4SLC6A3AURKA
SCHEMBL23906663 0.89 WEE1 (0.36) WEE1SLC6A2SLC6A4SLC6A3AURKA
SCHEMBL23906881 0.89 WEE1 (0.36) WEE1SLC6A2SLC6A4SLC6A3AURKA
SCHEMBL30086654 0.89 WEE1 (0.36) WEE1SLC6A2SLC6A4SLC6A3AURKA

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 6 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
CN-115443269-A Substituted pyrimidines and methods of use 施万生物制药研发IP有限责任公司 2022-12-06 — — CN 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 715/4885SLC6A2 3898/4885SLC6A4 2547/4885
US-20230399312-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE ALK, TYMP, ENTPD5 WEE1 715/4885SLC6A2 3898/4885SLC6A4 2547/4885

“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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