Sugi Predict

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SCHEMBL415996

SCHEMBL415996

O=C1COc2cccc(c2)Nc2cc(ncn2)Nc2cccc(c2)CCN1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 15/20 0.51
▸ TYK2 P29597 12/20 0.51
▸ JAK1 P23458 11/20 0.51
▸ JAK3 P52333 11/20 0.51
▸ ALK Q9UM73 5/20 0.46
▸ BMPR2 Q13873 1/20 0.41
▸ STK4 Q13043 2/20 0.38
▸ STK3 Q13188 2/20 0.38
▸ STK26 Q9P289 2/20 0.38
▸ STK24 Q9Y6E0 2/20 0.38
▸ FLT3 P36888 4/20 0.35
▸ CCNA2 P20248 2/20 0.35
▸ CDK2 P24941 2/20 0.35
▸ CCNA1 P78396 2/20 0.35
▸ CCNE1 P24864 1/20 0.35
▸ NUDT1 P36639 1/20 0.35
▸ GLS O94925 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
SCHEMBL463805 0.83 CCNC (0.41) JAK2TYK2JAK1JAK3ALK
SCHEMBL414417 0.82 MCL1 (0.41) JAK2TYK2JAK1JAK3ALK
SCHEMBL463771 0.82 NUDT1 (0.37) JAK2TYK2JAK1JAK3ALK
SCHEMBL414362 0.79 JAK2 (0.41) JAK2TYK2JAK1JAK3ALK
SCHEMBL463789 0.77 BMPR2 (0.41) JAK2TYK2JAK1JAK3ALK
SCHEMBL416007 0.77 EGFR (0.48) JAK2TYK2JAK1FLT3CCNA2
SCHEMBL463781 0.75 JAK2 (0.40) JAK2TYK2JAK1JAK3ALK
SCHEMBL463776 0.75 JAK2 (0.43) JAK2TYK2JAK1JAK3ALK
SCHEMBL463778 0.74 JAK2 (0.42) JAK2TYK2JAK1JAK3ALK
SCHEMBL463854 0.74 JAK2 (0.40) JAK2TYK2JAK1JAK3ALK

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 JAK2 2835/4885TYK2 1597/4885JAK1 2671/4885
US-20100160310-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES NR1H3, NR1H2, NR0B1 JAK2 2841/4885TYK2 1451/4885JAK1 2686/4885

“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.