SCHEMBL5094772

SCHEMBL5094772

O=C(Nc1ccc(-c2c(-c3ccnc(Nc4cccc(CCN5CCOCC5)c4)n3)cnn2CCCO)cc1)C1CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 3/20 0.55
▸ BCR P11274 2/20 0.55
▸ JAK2 O60674 7/20 0.45
▸ JAK3 P52333 5/20 0.45
▸ ACVR1 Q04771 1/20 0.42
▸ EGFR P00533 2/20 0.42
▸ ULK1 O75385 2/20 0.42
▸ ULK2 Q8IYT8 2/20 0.42
▸ PDGFRB P09619 3/20 0.42
▸ TBK1 Q9UHD2 3/20 0.42
▸ PDGFRA P16234 2/20 0.42
▸ SRC P12931 1/20 0.42
▸ ABL2 P42684 1/20 0.41
▸ IGF1R P08069 1/20 0.41
▸ KDR P35968 2/20 0.40
▸ FLT3 P36888 2/20 0.40
▸ MARK3 P27448 2/20 0.40
▸ IKBKE Q14164 2/20 0.40
▸ MARK2 Q7KZI7 2/20 0.40
▸ SIK2 Q9H0K1 2/20 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
SCHEMBL5090869 0.96 ABL1 (0.57) ABL1BCRJAK2JAK3ACVR1
SCHEMBL5094548 0.92 ABL1 (0.57) ABL1BCRJAK2JAK3ACVR1
SCHEMBL5094781 0.91 ABL1 (0.54) ABL1BCRJAK2JAK3ACVR1
SCHEMBL5103286 0.91 ABL1 (0.55) ABL1BCRJAK2JAK3ACVR1
SCHEMBL5103300 0.90 ABL1 (0.59) ABL1BCRJAK2JAK3ACVR1
SCHEMBL5097257 0.88 ABL1 (0.56) ABL1BCRJAK2JAK3ACVR1
SCHEMBL5097306 0.86 ABL1 (0.54) ABL1BCRJAK2JAK3ACVR1
SCHEMBL4629853 0.84 ABL1 (0.55) ABL1BCRJAK2JAK3ACVR1
SCHEMBL5096884 0.83 ABL1 (0.57) ABL1BCRJAK2JAK3ACVR1
SCHEMBL5103208 0.83 ABL1 (0.55) ABL1BCRJAK2JAK3ACVR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080242667-A1 Pyrimidinyl-Pyrazole Inhibitors of Aurora Kinases SMITHKLINE BEECHAM CORPORATION 2008-10-02 — — US claimed
US-20080242667-A1 Pyrimidinyl-Pyrazole Inhibitors of Aurora Kinases SMITHKLINE BEECHAM CORPORATION 2008-10-02 — — 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 (1 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-20080242667-A1 Pyrimidinyl-Pyrazole Inhibitors of Aurora Kinases AURKA, AURKC, PLK1 ABL1 55/4885BCR 1018/4885JAK2 205/4885

“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.

Send feedback