SCHEMBL30086299

SCHEMBL30086299

Cc1cccc(-c2nccc(Nc3ccnc(Nc4ccc(CN5CCCNCC5)cc4)n3)n2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLK4 O00444 1/20 0.47
▸ ABL1 P00519 4/20 0.44
▸ KIT P10721 4/20 0.44
▸ BCR P11274 2/20 0.44
▸ LRRK2 Q5S007 1/20 0.44
▸ JAK2 O60674 4/20 0.43
▸ JAK3 P52333 2/20 0.43
▸ ABL2 P42684 2/20 0.42
▸ CXCR4 P61073 9/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ CHRM2 P08172 1/20 0.40
▸ CHRM1 P11229 1/20 0.40
▸ ADRA2C P18825 1/20 0.40
▸ CCR2 P41597 1/20 0.40
▸ CXCL12 P48061 1/20 0.40
▸ BLM P54132 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.40
▸ PTK2 Q05397 1/20 0.40

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
SCHEMBL25222839 1.00 PLK4 (0.47) PLK4ABL1KITBCRLRRK2
SCHEMBL30086466 0.96 PLK4 (0.49) PLK4ABL1KITBCRLRRK2
SCHEMBL23906234 0.96 PLK4 (0.49) PLK4ABL1KITBCRLRRK2
SCHEMBL25702920 0.91 JAK2 (0.51) JAK2JAK3HRH3
SCHEMBL30086601 0.88 ACVR1 (0.46) PLK4ABL1KITBCRLRRK2
SCHEMBL23906679 0.88 ACVR1 (0.46) PLK4ABL1KITBCRLRRK2
SCHEMBL23906211 0.87 GSK3B (0.47) PLK4KITJAK2JAK3HRH3
SCHEMBL30086842 0.87 GSK3B (0.47) PLK4KITJAK2JAK3HRH3
SCHEMBL30086921 0.87 JAK2 (0.52) PLK4ABL1KITBCRJAK2
SCHEMBL23906923 0.87 JAK2 (0.52) PLK4ABL1KITBCRJAK2

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 PLK4 1890/4885ABL1 124/4885KIT 58/4885
US-11673879-B2 Substituted pyrimidines and methods of use ALK, TYMP, ENTPD5 PLK4 1890/4885ABL1 124/4885KIT 58/4885
US-20230399312-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE ALK, TYMP, ENTPD5 PLK4 1890/4885ABL1 124/4885KIT 58/4885

“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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