Sugi Predict

Sugi Predict / Compounds / SCHEMBL41512

SCHEMBL41512

SCHEMBL41512

O=C1CCNc2c1c(C1CCS(=O)(=O)CC1)nc1c(-c3cnc4ccccc4c3)cnn21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP10 Q53GL7 1/20 0.42
▸ PARP11 Q9NR21 1/20 0.42
▸ RIPK3 Q9Y572 2/20 0.39
▸ MAPKAPK2 P49137 3/20 0.37
▸ CSNK1A1 P48729 2/20 0.37
▸ CSNK1D P48730 2/20 0.37
▸ CSNK1G2 P78368 2/20 0.37
▸ PLK4 O00444 1/20 0.37
▸ DAPK3 O43293 1/20 0.37
▸ DYRK3 O43781 1/20 0.37
▸ PRKD3 O94806 1/20 0.37
▸ MAP4K4 O95819 1/20 0.37
▸ CHEK2 O96017 1/20 0.37
▸ CDK1 P06493 1/20 0.37
▸ PIM1 P11309 1/20 0.37
▸ RPS6KB1 P23443 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ MAPK8 P45983 1/20 0.37
▸ MAPK9 P45984 1/20 0.37
▸ CLK2 P49760 1/20 0.37

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
SCHEMBL15007436 0.93 PARP10 (0.41) PARP10PARP11RIPK3MAPKAPK2CSNK1A1
SCHEMBL15026256 0.91 PARP10 (0.43) PARP10PARP11RIPK3MAPKAPK2CSNK1A1
SCHEMBL41447 0.86 MTOR (0.43) MTORCHEK1CCNA2CDK2CCNA1
SCHEMBL10234753 0.81 NPC1 (0.40) MAPKAPK2PIK3CAMTORPDGFRBPDGFRA
SCHEMBL10210939 0.81 PARP10 (0.35) PARP10PARP11RIPK3PIM1PIM3
SCHEMBL17787563 0.79 MTOR (0.33) MTOR
SCHEMBL15007449 0.79 MTOR (0.42) MTORCHEK1CCNA2CDK2CCNA1
SCHEMBL7883729 0.78 PIK3CA (0.37) PIK3CAMTORPDGFRBPDGFRACHEK1
SCHEMBL6893094 0.78 MTOR (0.43) PARP10PARP11PIM1PIM3PIM2
SCHEMBL6891386 0.77 CHEK1 (0.47) PIM1PRKD2PIK3CAMTORCHEK1

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
EP-2608668-B1 FUSED TRICYCLIC INHIBITORS OF MAMMALIAN TARGET OF RAPAMYCIN MERCK SHARP & DOHME (US) 2016-06-01 — — EP disclosed
EP-2608668-B1 FUSED TRICYCLIC INHIBITORS OF MAMMALIAN TARGET OF RAPAMYCIN MERCK SHARP & DOHME (US) 2016-06-01 — — EP 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-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
WO-2012027234-A1 FUSED TRICYCLIC INHIBITORS OF MAMMALIAN TARGET OF RAPAMYCIN SCHERING CORPORATION (US) 2012-03-01 — — 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-20130150353-A1 Fused Tricyclic Inhibitors of Mammalian Target of Rapamycin MTOR, RICTOR, RPTOR PARP10 216/4885PARP11 249/4885RIPK3 331/4885

“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.