SCHEMBL828273

SCHEMBL828273

CCC(C)N(C(=O)OC(C)(C)C)c1cc(C)ccn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.38
AAK1 Q2M2I8 6/20 0.37
PKM P14618 3/20 0.36
TP53 P04637 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
SYK P43405 1/20 0.35
OPRM1 P35372 1/20 0.35
LMNA P02545 2/20 0.35
XBP1 P17861 2/20 0.35
MAPK1 P28482 2/20 0.35
HTT P42858 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
HSD17B10 Q99714 2/20 0.35
HSP90AA1 P07900 1/20 0.35
GAA P10253 1/20 0.35
USP30 Q70CQ3 1/20 0.33
F2 P00734 2/20 0.33
CPB2 Q96IY4 1/20 0.33

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
SCHEMBL828278 0.87 USP30 (0.40) SSTR4AAK1PKMTP53NPC1
SCHEMBL828568 0.85 NPC1 (0.38) SSTR4AAK1PKMTP53NPC1
SCHEMBL828661 0.81 MAPK14 (0.39) PKMTP53NPC1RAB9ASMN1; SMN2
SCHEMBL828561 0.79 NPC1 (0.39) SSTR4AAK1PKMTP53NPC1
SCHEMBL828100 0.79 F2 (0.40) SSTR4AAK1PKMTP53NPC1
SCHEMBL3335527 0.78 NPC1 (0.49) SSTR4AAK1PKMTP53NPC1
SCHEMBL828571 0.78 RAB9A (0.35) SSTR4AAK1NPC1RAB9ALMNA
SCHEMBL22703159 0.77 NPC1 (0.45) SSTR4AAK1PKMTP53NPC1
SCHEMBL828662 0.77 NPC1 (0.42) SSTR4AAK1PKMTP53NPC1
SCHEMBL14694315 0.77 AAK1 (0.36) SSTR4AAK1SYKUSP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170313661-A1 KINASE MODULATORS FOR THE TREATMENT OF CANCER SYNOVO GMBH (DE) 2017-11-02 US disclosed
US-20170313661-A1 KINASE MODULATORS FOR THE TREATMENT OF CANCER SYNOVO GMBH (DE) 2017-11-02 US disclosed
US-20170313661-A1 KINASE MODULATORS FOR THE TREATMENT OF CANCER SYNOVO GMBH (DE) 2017-11-02 US disclosed
US-9617221-B2 Kinase modulators for the treatment of cancer SYNOVO GMBH (DE) 2017-04-11 US disclosed
US-9617221-B2 Kinase modulators for the treatment of cancer SYNOVO GMBH (DE) 2017-04-11 US disclosed
US-9617221-B2 Kinase modulators for the treatment of cancer SYNOVO GMBH (DE) 2017-04-11 US disclosed
US-20130045938-A1 KINASE MODULATORS FOR THE TREATMENT OF CANCER SYNOVO GMBH (DE) 2013-02-21 US disclosed
US-20130045938-A1 KINASE MODULATORS FOR THE TREATMENT OF CANCER SYNOVO GMBH (DE) 2013-02-21 US disclosed
US-20130045938-A1 KINASE MODULATORS FOR THE TREATMENT OF CANCER SYNOVO GMBH (DE) 2013-02-21 US disclosed
US-8143294-B2 2-sulfanyl-substituted imidazole derivatives and their use as cytokine inhibitors BURNET MICHAEL (DE) 2012-03-27 US disclosed
US-8143294-B2 2-sulfanyl-substituted imidazole derivatives and their use as cytokine inhibitors BURNET MICHAEL (DE) 2012-03-27 US disclosed
US-8143294-B2 2-sulfanyl-substituted imidazole derivatives and their use as cytokine inhibitors BURNET MICHAEL (DE) 2012-03-27 US disclosed
WO-2011100769-A2 KINASE MODULATORS FOR THE TREATMENT OF CANCER SYNOVO GMBH (DE) 2011-08-18 WO disclosed
US-20090270462-A1 2-SULFANYL-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS SYNOVO GMBH (DE) 2009-10-29 US disclosed
US-20090270462-A1 2-SULFANYL-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS SYNOVO GMBH (DE) 2009-10-29 US disclosed
US-20090270462-A1 2-SULFANYL-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS SYNOVO GMBH (DE) 2009-10-29 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 (3 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-20170313661-A1 KINASE MODULATORS FOR THE TREATMENT OF CANCER MAP3K10, MAP3K12, MAP3K20 SSTR4 4344/4885AAK1 201/4885PKM 730/4885
US-20130045938-A1 KINASE MODULATORS FOR THE TREATMENT OF CANCER MAP3K10, MAP3K12, MAP3K20 SSTR4 4344/4885AAK1 201/4885PKM 730/4885
US-20090270462-A1 2-SULFANYL-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS IL2, IL2RA, IL1B SSTR4 1878/4885AAK1 3321/4885PKM 4053/4885

“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.