SCHEMBL15026317

SCHEMBL15026317

CC(NC(=O)C(CO)CO)c1nc2c(-c3cnc4ccc(F)cc4c3)cnn2c2c1C(=O)CCN2

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.33
GPR39 O43194 2/20 0.31
PARP10 Q53GL7 1/20 0.31
PARP11 Q9NR21 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
RIPK3 Q9Y572 1/20 0.30
DYRK1A Q13627 1/20 0.30

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
SCHEMBL30298 0.89 BDKRB1 (0.33) CNR2GPR39
SCHEMBL15026252 0.81 PARP10 (0.31) PARP10PARP11
SCHEMBL30002 0.81 RIPK3 (0.35) RIPK3
SCHEMBL15026288 0.74 PARP10 (0.35) PARP10PARP11KDM4EALDH1A1RIPK3
SCHEMBL15026253 0.74 RIPK3 (0.35) PARP10PARP11RIPK3
SCHEMBL7882864 0.73 RAB9A (0.36) CNR2KDM4EALDH1A1
SCHEMBL7882334 0.73 RAB9A (0.38) KDM4EALDH1A1
SCHEMBL10239360 0.73 RAB9A (0.36) CNR2KDM4EALDH1A1
SCHEMBL10239372 0.73 RAB9A (0.36) CNR2KDM4EALDH1A1
SCHEMBL7880930 0.73 RAB9A (0.36) CNR2KDM4EALDH1A1

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
US-8703784-B2 Substituted pyrazolo[1,5-a]pyrido[3.2-e]pyrimidin-6-one inhibitors of mammalian target of rapamycin MERCK SHARP & DOHME CORP. (US) 2014-04-22 US disclosed
US-8703784-B2 Substituted pyrazolo[1,5-a]pyrido[3.2-e]pyrimidin-6-one inhibitors of mammalian target of rapamycin MERCK SHARP & DOHME CORP. (US) 2014-04-22 US disclosed
US-20130150353-A1 Fused Tricyclic Inhibitors of Mammalian Target of Rapamycin MERCK SHARP & DOHME LLC 2013-06-13 US disclosed
US-20130150353-A1 Fused Tricyclic Inhibitors of Mammalian Target of Rapamycin MERCK SHARP & DOHME LLC 2013-06-13 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-20130150353-A1 Fused Tricyclic Inhibitors of Mammalian Target of Rapamycin MTOR, RICTOR, RPTOR CNR2 4109/4885GPR39 3750/4885PARP10 216/4885

“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.