SCHEMBL1128014

SCHEMBL1128014

O=C1NC(=O)C(c2cn(CCOCCOCCO)c3ccccc23)=C1c1cn(CCO)c2ccccc12

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 4/20 0.79
CDK1 P06493 4/20 0.79
CCNB1 P14635 4/20 0.79
CCNB3 Q8WWL7 4/20 0.79
GSK3B P49841 3/20 0.61
KDR P35968 2/20 0.61
FLT3 P36888 2/20 0.61
PRKACA P17612 3/20 0.57
PRKACG P22612 3/20 0.57
PRKACB P22694 3/20 0.57
CDK4 P11802 1/20 0.57
CCND1 P24385 1/20 0.57
PRKCB P05771 1/20 0.54
PRKCA P17252 1/20 0.54
PRKCE Q02156 1/20 0.54
CAMK2D Q13557 2/20 0.53
CCNT1 O60563 1/20 0.53
CCNA2 P20248 1/20 0.53
CDK2 P24941 1/20 0.53
CDK9 P50750 1/20 0.53

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
SCHEMBL14670809 0.96 CCNB2 (0.82) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL14522482 0.89 GSK3B (0.69) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL13580127 0.88 CCNB2 (0.66) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL14670811 0.86 CCNB2 (0.68) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL8161322 0.83 CCNE2 (0.74) GSK3BPRKACAPRKACGPRKACBCDK4
SCHEMBL28659415 0.83 GSK3B (0.66) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL7873644 0.81 PRKACA (0.80) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL7840914 0.77 PRKCB (0.87) GSK3BKDRFLT3PRKACAPRKACG
SCHEMBL12607875 0.76 KDR (1.00) GSK3BKDRFLT3CDK4CCND1
SCHEMBL3139598 0.76 GSK3B (0.78) GSK3BPRKACAPRKACGPRKACBCDK4

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180127723-A1 TREATMENT OF PLURIPOTENT CELLS JANSSEN BIOTECH, INC. (US) 2018-05-10 US claimed
EP-2664669-B1 TREATMENT OF PLURIPOTENT CELLS JANSSEN BIOTECH INC (US) 2017-12-27 EP claimed
US-20140080210-A1 Treatment of Pluripotent Cells JANSSEN BIOTECH, INC. (US) 2014-03-20 US claimed
US-20130337564-A1 Treatment of Pluripotent Cells JANSSEN BIOTECH, INC. 2013-12-19 US claimed
EP-2664669-A1 Treatment of pluripotent cells Janssen Biotech, Inc. (US) 2013-11-20 EP claimed
EP-2283114-A2 TREATMENT OF PLURIPOTENT CELLS Centocor Ortho Biotech Inc. (US) 2011-02-16 EP claimed
US-20090325293-A1 TREATMENT OF PLURIPOTENT CELLS JANSSEN BIOTECH, INC. 2009-12-31 US claimed
WO-2009132068-A2 TREATMENT OF PLURIPOTENT CELLS CENTOCOR ORTHO BIOTECH INC. (US) 2009-10-29 WO claimed
US-20180127723-A1 TREATMENT OF PLURIPOTENT CELLS JANSSEN BIOTECH, INC. (US) 2018-05-10 US disclosed
US-20180127723-A1 TREATMENT OF PLURIPOTENT CELLS JANSSEN BIOTECH, INC. (US) 2018-05-10 US disclosed
EP-2664669-B1 TREATMENT OF PLURIPOTENT CELLS JANSSEN BIOTECH INC (US) 2017-12-27 EP disclosed
EP-2664669-B1 TREATMENT OF PLURIPOTENT CELLS JANSSEN BIOTECH INC (US) 2017-12-27 EP disclosed
US-9845460-B2 Treatment of pluripotent cells JANSSEN BIOTECH, INC. (US) 2017-12-19 US disclosed
US-9845460-B2 Treatment of pluripotent cells JANSSEN BIOTECH, INC. (US) 2017-12-19 US disclosed
US-8623648-B2 Treatment of pluripotent cells JANSSEN BIOTECH, INC. (US) 2014-01-07 US disclosed
EP-2664669-A1 Treatment of pluripotent cells Janssen Biotech, Inc. (US) 2013-11-20 EP disclosed
EP-2283114-A2 TREATMENT OF PLURIPOTENT CELLS Centocor Ortho Biotech Inc. (US) 2011-02-16 EP disclosed
US-20090325293-A1 TREATMENT OF PLURIPOTENT CELLS JANSSEN BIOTECH, INC. 2009-12-31 US disclosed
WO-2009132068-A2 TREATMENT OF PLURIPOTENT CELLS CENTOCOR ORTHO BIOTECH INC. (US) 2009-10-29 WO disclosed
WO-2009132068-A2 TREATMENT OF PLURIPOTENT CELLS CENTOCOR ORTHO BIOTECH INC. (US) 2009-10-29 WO 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-20180127723-A1 TREATMENT OF PLURIPOTENT CELLS GSK3B, GSK3A, GSKIP CCNB2 2950/4885CDK1 918/4885CCNB1 2580/4885

“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.