Sugi Predict

Sugi Predict / Compounds / SCHEMBL415990

SCHEMBL415990

SCHEMBL415990

O=C1CCN2CCN(CC2)Cc2cccc(c2)Nc2ccnc(n2)Nc2ccc(c(Cl)c2)OCCCN1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BMPR2 Q13873 1/20 0.40
▸ JAK2 O60674 17/20 0.40
▸ JAK1 P23458 14/20 0.40
▸ TYK2 P29597 13/20 0.40
▸ JAK3 P52333 12/20 0.40
▸ ALK Q9UM73 6/20 0.38
▸ CDK2 P24941 6/20 0.35
▸ FLT3 P36888 6/20 0.35
▸ CCNA2 P20248 5/20 0.35
▸ CCNA1 P78396 5/20 0.35
▸ STK4 Q13043 2/20 0.34
▸ STK3 Q13188 2/20 0.34
▸ STK26 Q9P289 1/20 0.34
▸ STK24 Q9Y6E0 1/20 0.34
▸ ROCK2 O75116 1/20 0.34
▸ CCNK O75909 1/20 0.34
▸ STK10 O94804 1/20 0.34
▸ PRKD3 O94806 1/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ EGFR P00533 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
SCHEMBL416074 1.00 BMPR2 (0.40) BMPR2JAK2JAK1TYK2JAK3
SCHEMBL415046 0.93 BMPR2 (0.37) BMPR2JAK2JAK1TYK2JAK3
SCHEMBL13301723 0.91 BMPR2 (0.40) BMPR2JAK2JAK1TYK2JAK3
SCHEMBL416072 0.88 BMPR2 (0.38) BMPR2JAK2JAK1TYK2JAK3
SCHEMBL413931 0.86 JAK2 (0.43) BMPR2JAK2JAK1TYK2JAK3
SCHEMBL10280013 0.85 BMPR2 (0.37) BMPR2JAK2CDK2FLT3CCNA2
SCHEMBL14765619 0.82 BMPR2 (0.36) BMPR2GSK3AGSK3B
SCHEMBL414518 0.81 BMPR2 (0.39) BMPR2JAK2JAK1TYK2JAK3
SCHEMBL415056 0.81 BMPR2 (0.36) BMPR2JAK2JAK1TYK2JAK3
SCHEMBL10291311 0.80 BMPR2 (0.39) BMPR2JAK2JAK1TYK2JAK3

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 7 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

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 1442/4885JAK2 2835/4885JAK1 2671/4885
US-20100160310-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES NR1H3, NR1H2, NR0B1 BMPR2 1474/4885JAK2 2841/4885JAK1 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.