Sugi Predict

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SCHEMBL415045

SCHEMBL415045

CN1CC(=O)NCCOc2ccc(Cl)cc2Nc2nccc(n2)Nc2ccc(cc2)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 8/20 0.38
▸ GSK3B P49841 2/20 0.38
▸ BMPR2 Q13873 2/20 0.38
▸ GSK3A P49840 1/20 0.38
▸ EGFR P00533 3/20 0.35
▸ JAK2 O60674 3/20 0.33
▸ CCNA2 P20248 2/20 0.33
▸ CDK2 P24941 2/20 0.33
▸ FLT3 P36888 2/20 0.33
▸ CCNA1 P78396 2/20 0.33
▸ HTR2A P28223 1/20 0.32
▸ CSF1R P07333 1/20 0.32
▸ RPS6KA3 P51812 1/20 0.32
▸ PRKAA1 Q13131 1/20 0.32
▸ STK3 Q13188 1/20 0.32
▸ PRKCI P41743 1/20 0.32
▸ NTRK1 P04629 1/20 0.31
▸ ROS1 P08922 1/20 0.31
▸ ALK Q9UM73 1/20 0.31
▸ F2 P00734 1/20 0.31

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
SCHEMBL414565 0.91 CHEK1 (0.43) CHEK1GSK3BBMPR2GSK3AEGFR
SCHEMBL416128 0.91 CDK2 (0.41) CHEK1GSK3BBMPR2GSK3AEGFR
SCHEMBL416082 0.84 CHEK1 (0.41) CHEK1GSK3BBMPR2GSK3AEGFR
SCHEMBL414534 0.83 GSK3A (0.37) CHEK1GSK3BBMPR2GSK3AEGFR
SCHEMBL416130 0.82 CDK2 (0.42) CHEK1GSK3BBMPR2GSK3AEGFR
SCHEMBL413916 0.82 CHEK1 (0.40) CHEK1GSK3BBMPR2GSK3AEGFR
SCHEMBL413911 0.78 CHEK1 (0.39) CHEK1GSK3BEGFRFLT3CSF1R
SCHEMBL415035 0.78 BMPR2 (0.39) CHEK1GSK3BBMPR2GSK3AEGFR
SCHEMBL415076 0.77 CHEK1 (0.39) CHEK1GSK3BBMPR2GSK3AEGFR
SCHEMBL413931 0.76 JAK2 (0.43) GSK3BBMPR2GSK3AEGFRJAK2

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 CHEK1 4237/4885GSK3B 4007/4885BMPR2 1442/4885
US-20100160310-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES NR1H3, NR1H2, NR0B1 CHEK1 4043/4885GSK3B 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.