Sugi Predict

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SCHEMBL414534

SCHEMBL414534

CN1CC(=O)NCCCOc2ccc(cc2Cl)Nc2nccc(n2)Nc2ccc(cc2)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3A P49840 2/20 0.37
▸ GSK3B P49841 2/20 0.37
▸ BMPR2 Q13873 2/20 0.37
▸ JAK2 O60674 15/20 0.36
▸ FLT3 P36888 13/20 0.36
▸ CDK2 P24941 10/20 0.36
▸ CCNA2 P20248 8/20 0.36
▸ CCNA1 P78396 8/20 0.36
▸ JAK1 P23458 9/20 0.33
▸ TYK2 P29597 8/20 0.33
▸ STK4 Q13043 2/20 0.33
▸ STK3 Q13188 2/20 0.33
▸ ROCK2 O75116 1/20 0.33
▸ CCNK O75909 1/20 0.33
▸ STK10 O94804 1/20 0.33
▸ PRKD3 O94806 1/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ PRKCB P05771 1/20 0.33
▸ CDK1 P06493 1/20 0.33

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
SCHEMBL413931 0.92 JAK2 (0.43) GSK3AGSK3BBMPR2JAK2FLT3
SCHEMBL414565 0.89 CHEK1 (0.43) GSK3AGSK3BBMPR2JAK2FLT3
SCHEMBL415056 0.87 BMPR2 (0.36) GSK3AGSK3BBMPR2JAK2FLT3
SCHEMBL415046 0.85 BMPR2 (0.37) GSK3AGSK3BBMPR2JAK2JAK1
SCHEMBL415045 0.83 CHEK1 (0.38) GSK3AGSK3BBMPR2JAK2FLT3
SCHEMBL10290242 0.83 GSK3A (0.34) GSK3AGSK3BBMPR2JAK2FLT3
SCHEMBL416130 0.81 CDK2 (0.42) GSK3AGSK3BBMPR2JAK2FLT3
SCHEMBL416082 0.81 CHEK1 (0.41) GSK3AGSK3BBMPR2JAK2FLT3
SCHEMBL414545 0.81 PLK4 (0.37) GSK3AGSK3BBMPR2JAK2FLT3
SCHEMBL415050 0.80 GSK3A (0.36) GSK3AGSK3BBMPR2JAK2FLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394955-B2 2,4 (4,6) pyrimidine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2013-03-12 — — US disclosed
US-8394955-B2 2,4 (4,6) pyrimidine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2013-03-12 — — US disclosed
US-8148388-B2 2,4 (4,6) pyrimidine derivatives JANSSEN PHARMACEUTICA, N.V. (BE) 2012-04-03 — — US disclosed
US-8148388-B2 2,4 (4,6) pyrimidine derivatives JANSSEN PHARMACEUTICA, N.V. (BE) 2012-04-03 — — US disclosed
US-20120065395-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES FREYNE EDDY JEAN EDGARD (BE) 2012-03-15 — — US disclosed
US-20120065395-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES FREYNE EDDY JEAN EDGARD (BE) 2012-03-15 — — US disclosed
US-20100160310-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2010-06-24 — — US disclosed
US-20100160310-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2010-06-24 — — 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 (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-20120065395-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES NR0B1, NR1H3, NCOA3 GSK3A 4077/4885GSK3B 4007/4885BMPR2 1442/4885
US-20100160310-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES NR1H3, NR1H2, NR0B1 GSK3A 3787/4885GSK3B 3734/4885BMPR2 1474/4885

“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.