SCHEMBL4712159

SCHEMBL4712159

COc1cc(-c2ccnc(Nc3cccc(Cl)c3)n2)cc(OC)c1OCCN1CCOCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMG1 Q96Q15 3/20 0.57
CAMK2D Q13557 3/20 0.57
CDK2 P24941 3/20 0.57
CDK1 P06493 2/20 0.57
AIMP2 Q13155 2/20 0.56
ABL1 P00519 5/20 0.52
BCR P11274 4/20 0.52
MTOR P42345 1/20 0.51
ZAP70 P43403 1/20 0.50
LCK P06239 1/20 0.49
SRC P12931 1/20 0.49
KDR P35968 1/20 0.49
MAPK14 Q16539 1/20 0.49
ABL2 P42684 1/20 0.49
JAK2 O60674 4/20 0.49
JAK3 P52333 2/20 0.49
EGFR P00533 1/20 0.48
PIK3CA P42336 1/20 0.48
PIK3CB P42338 1/20 0.48
PIK3CG P48736 1/20 0.48

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
SCHEMBL6680432 0.92 CAMK2D (0.56) SMG1CAMK2DCDK2CDK1AIMP2
SCHEMBL8254301 0.81 PIK3CG (0.69) CAMK2DCDK2ABL1BCRZAP70
SCHEMBL6109026 0.78 CSNK2A1 (0.69) SMG1CAMK2DCDK2CDK1ABL1
SCHEMBL12764224 0.77 ABL1 (0.62) CAMK2DCDK2ABL1BCRJAK2
SCHEMBL12274175 0.77 AIMP2 (0.58) SMG1AIMP2ABL1BCRMTOR
SCHEMBL6497264 0.76 ABL1 (0.53) SMG1CAMK2DCDK2CDK1ABL1
SCHEMBL7811447 0.75 CSNK2A1 (0.72) SMG1CAMK2DCDK2CDK1ABL1
SCHEMBL6479263 0.74 SYK (0.57) ABL1BCRZAP70LCKSRC
SCHEMBL12274546 0.73 TBK1 (0.59) ABL1BCRZAP70SRCJAK2
SCHEMBL12274938 0.73 IKBKE (0.61) ABL1BCRSRCJAK2JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1373257-B9 INHIBITORS OF C-JUN N-TERMINAL KINASES (JNK) AND OTHER PROTEIN KINASES VERTEX PHARMA (US) 2008-10-15 EP disclosed
EP-1373257-B1 INHIBITORS OF C-JUN N-TERMINAL KINASES (JNK) AND OTHER PROTEIN KINASES VERTEX PHARMA (US) 2007-11-28 EP disclosed
US-6949544-B2 Inhibitors of c-Jun N-terminal kinases (JNK) and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-09-27 US disclosed
US-20030087922-A1 Inhibitors of c-Jun N-terminal kinases (JNK) and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2003-05-08 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 (1 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-20030087922-A1 Inhibitors of c-Jun N-terminal kinases (JNK) and other protein kinases CDK2, LCK, CDK5 SMG1 332/4885CAMK2D 183/4885CDK2 1/4885

“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.