SCHEMBL25222877

SCHEMBL25222877

COC(=O)C1CNCCN1Cc1ccc(Nc2nccc(Nc3ccnc(-c4cccc(C)n4)n3)n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 3/20 0.38
▸ KIT P10721 3/20 0.38
▸ BCR P11274 2/20 0.38
▸ LRRK2 Q5S007 1/20 0.38
▸ AURKA O14965 7/20 0.36
▸ IGF1R P08069 6/20 0.36
▸ AURKB Q96GD4 2/20 0.36
▸ ABL2 P42684 1/20 0.36
▸ IKBKB O14920 1/20 0.34
▸ CHUK O15111 1/20 0.34
▸ TYK2 P29597 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 0.88 JAK2 (0.38) AURKAIGF1RAURKBIKBKBCHUK
SCHEMBL23906589 0.88 JAK2 (0.38) AURKAIGF1RAURKBIKBKBCHUK
SCHEMBL30086514 0.86 ABL1 (0.38) ABL1KITBCRLRRK2AURKA
SCHEMBL25221131 0.86 ABL1 (0.38) ABL1KITBCRLRRK2AURKA
SCHEMBL23906904 0.83 ABL1 (0.40) ABL1KITBCRAURKAIGF1R
SCHEMBL23906210 0.83 JAK2 (0.44) ABL1BCRAURKAAURKB
SCHEMBL25703588 0.83 ABL1 (0.39) ABL1KITBCRLRRK2AURKA
SCHEMBL25703675 0.83 ABL1 (0.39) ABL1KITBCRLRRK2AURKA
SCHEMBL30086466 0.82 PLK4 (0.49) ABL1KITBCRLRRK2ABL2
SCHEMBL23906234 0.82 PLK4 (0.49) ABL1KITBCRLRRK2ABL2

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 4 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

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 ABL1 124/4885KIT 58/4885BCR 447/4885
US-20230399312-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE ALK, TYMP, ENTPD5 ABL1 124/4885KIT 58/4885BCR 447/4885

“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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