SCHEMBL916496

SCHEMBL916496

CCCS(=O)(=O)N1CCN(Nc2ncc3cc(-c4ccccc4C)c(=O)n(C4CCOCC4)c3n2)CC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 15/20 0.42
CDK2 P24941 15/20 0.42
CCND1 P24385 12/20 0.42
CDK6 Q00534 12/20 0.42
CCNT1 O60563 1/20 0.42
CDK4 P11802 1/20 0.42
CDK9 P50750 1/20 0.42
MAPK14 Q16539 2/20 0.41
LCK P06239 1/20 0.41
TNK2 Q07912 2/20 0.40
BRAF P15056 1/20 0.39

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
SCHEMBL916495 0.88 CDK2 (0.46) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL916708 0.86 TNK2 (0.49) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL916683 0.85 MAPK14 (0.47) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL917525 0.84 CCNE1 (0.59) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL915589 0.84 MAPK14 (0.43) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL3576421 0.83 MAPK14 (0.46) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL3674787 0.81 CCNE1 (0.53) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL3677090 0.80 CCNE1 (0.55) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL3677034 0.80 CCNE1 (0.55) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL3577496 0.79 MAPK14 (0.46) CCNE1CDK2CCND1CDK6CCNT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110021473-A1 INHIBITORS OF PHOSPHODIESTERASE TYPE-IV RANBAXY LABORATORIES LIMITED 2011-01-27 US disclosed
US-20100029728-A1 PHOSPHODIESTERASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2010-02-04 US disclosed
US-20090221664-A1 PHARMACEUTICAL COMPOSITIONS OF MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2009-09-03 US disclosed
EP-2066661-A2 PHOSPHODIESTERASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2009-06-10 EP disclosed
US-20080207659-A1 INHIBITORS OF PHOSPHODIESTERASE TYPE 4 RANBAXY LABORATORIES LIMITED (IN) 2008-08-28 US disclosed
EP-1958947-A1 Inhibitors of phosphodiesterase type 4 Ranbaxy Laboratories Limited (IN) 2008-08-20 EP disclosed
EP-1948164-A1 PHARMACEUTICAL COMPOSITIONS OF MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES, LTD. (IN) 2008-07-30 EP disclosed
WO-2008035316-A2 PHOSPHODIESTERASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2008-03-27 WO disclosed
WO-2007045979-A1 PHARMACEUTICAL COMPOSITIONS OF MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2007-04-26 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 (4 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-20080207659-A1 INHIBITORS OF PHOSPHODIESTERASE TYPE 4 PDE4A, PDE4B, PDE4C CCNE1 3442/4885CDK2 827/4885CCND1 3084/4885
US-20090221664-A1 PHARMACEUTICAL COMPOSITIONS OF MUSCARINIC RECEPTOR ANTAGONISTS ADRB2, ADRB1, ADRA2C CCNE1 4437/4885CDK2 1168/4885CCND1 4363/4885
US-20100029728-A1 PHOSPHODIESTERASE INHIBITORS PDE4A, PDE4B, PDE4C CCNE1 3629/4885CDK2 967/4885CCND1 3106/4885
US-20110021473-A1 INHIBITORS OF PHOSPHODIESTERASE TYPE-IV PDE4A, PDE4B, PDE4C CCNE1 2955/4885CDK2 912/4885CCND1 3051/4885

“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.