SCHEMBL3580995

SCHEMBL3580995

Cc1ccccc1-c1cc2cnc(NC3CCN(C(O)=S)CC3)nc2n(C2CCOCC2)c1=O

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.53
LCK P06239 1/20 0.53
CCNE1 P24864 15/20 0.48
CDK2 P24941 15/20 0.48
CCND1 P24385 11/20 0.48
CDK6 Q00534 11/20 0.48
CCNT1 O60563 1/20 0.48
CDK4 P11802 1/20 0.48
CDK9 P50750 1/20 0.48
MAPK8 P45983 1/20 0.46
MAPK9 P45984 1/20 0.46
MAPK10 P53779 1/20 0.46
CCNE2 O96020 1/20 0.44

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
SCHEMBL3576254 0.93 MAPK14 (0.53) MAPK14LCKCCNE1CDK2CCND1
SCHEMBL917150 0.91 MAPK14 (0.53) MAPK14LCKCCNE1CDK2CCND1
SCHEMBL3674368 0.91 MAPK8 (0.53) MAPK14LCKCCNE1CDK2CCND1
SCHEMBL916901 0.91 MAPK14 (0.52) MAPK14LCKCCNE1CDK2CCND1
SCHEMBL3580991 0.90 MAPK14 (0.53) MAPK14LCKCCNE1CDK2CCND1
SCHEMBL3679319 0.90 MAPK14 (0.51) MAPK14LCKCCNE1CDK2CCND1
SCHEMBL3682636 0.90 MAPK14 (0.49) MAPK14LCKCCNE1CDK2CCND1
SCHEMBL3677049 0.90 MAPK14 (0.64) MAPK14LCKCCNE1CDK2CCND1
SCHEMBL3675578 0.90 MAPK14 (0.52) MAPK14LCKCCNE1CDK2CCND1
SCHEMBL916228 0.89 MAPK14 (0.59) MAPK14LCKCCNE1CDK2CCND1

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-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
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 (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-20090221664-A1 PHARMACEUTICAL COMPOSITIONS OF MUSCARINIC RECEPTOR ANTAGONISTS ADRB2, ADRB1, ADRA2C MAPK14 238/4885LCK 348/4885CCNE1 4437/4885
US-20100029728-A1 PHOSPHODIESTERASE INHIBITORS PDE4A, PDE4B, PDE4C MAPK14 1715/4885LCK 910/4885CCNE1 3629/4885

“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.