Sugi Predict

Sugi Predict / Compounds / SCHEMBL414518

SCHEMBL414518

SCHEMBL414518

CN1CCN(CCN2CCC(=O)NCCOc3ccc(cc3Cl)Nc3nccc(n3)Nc3cccc(c3)C2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BMPR2 Q13873 1/20 0.39
▸ ALK Q9UM73 2/20 0.38
▸ FLT3 P36888 17/20 0.38
▸ JAK2 O60674 16/20 0.38
▸ CDK2 P24941 15/20 0.38
▸ CCNA2 P20248 14/20 0.38
▸ CCNA1 P78396 14/20 0.38
▸ JAK1 P23458 7/20 0.38
▸ TYK2 P29597 6/20 0.38
▸ JAK3 P52333 3/20 0.38
▸ ROCK2 O75116 1/20 0.37
▸ CCNK O75909 1/20 0.37
▸ STK10 O94804 1/20 0.37
▸ PRKD3 O94806 1/20 0.37
▸ ABL1 P00519 1/20 0.37
▸ EGFR P00533 1/20 0.37
▸ PRKCB P05771 1/20 0.37
▸ CDK1 P06493 1/20 0.37
▸ RET P07949 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37

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
SCHEMBL415050 0.87 GSK3A (0.36) BMPR2FLT3JAK2CDK2CCNA2
SCHEMBL416072 0.87 BMPR2 (0.38) BMPR2ALKFLT3JAK2CDK2
SCHEMBL415037 0.86 BMPR2 (0.38) BMPR2ALKFLT3JAK2CDK2
SCHEMBL416067 0.85 ALK (0.44) ALKFLT3JAK2JAK1TYK2
SCHEMBL414515 0.85 ALK (0.44) ALKFLT3JAK2JAK1TYK2
SCHEMBL463821 0.83 BMPR2 (0.38) BMPR2FLT3JAK2CDK2CCNA2
SCHEMBL413931 0.83 JAK2 (0.43) BMPR2ALKFLT3JAK2CDK2
SCHEMBL14765610 0.82 BMPR2 (0.37) BMPR2FLT3JAK2CDK2CCNA2
SCHEMBL415035 0.81 BMPR2 (0.39) BMPR2ALKFLT3JAK2CDK2
SCHEMBL416074 0.81 BMPR2 (0.40) BMPR2ALKFLT3JAK2CDK2

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 BMPR2 1442/4885ALK 2550/4885FLT3 2149/4885
US-20100160310-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES NR1H3, NR1H2, NR0B1 BMPR2 1474/4885ALK 3597/4885FLT3 2372/4885

“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.