SCHEMBL828664

SCHEMBL828664

Cc1ccnc(N(C(=O)OC(C)(C)C)C2CCOCC2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.40
KCNH2 Q12809 1/20 0.40
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.34
NPC1 O15118 2/20 0.34
TP53 P04637 2/20 0.34
RAB9A P51151 2/20 0.34
PKM P14618 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
USP30 Q70CQ3 1/20 0.34
MAPK1 P28482 2/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
GAA P10253 1/20 0.33
RECQL P46063 1/20 0.33
SYK P43405 1/20 0.33
MAPT P10636 1/20 0.32
SSTR4 P31391 1/20 0.32

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
SCHEMBL30595662 0.83 SMN1; SMN2 (0.47) MEN1KMT2ALMNASMN1; SMN2NPC1
SCHEMBL30595661 0.83 SMN1; SMN2 (0.47) MEN1KMT2ALMNASMN1; SMN2NPC1
SCHEMBL14694327 0.78 USP30 (0.34) MEN1KMT2AUSP30
SCHEMBL828101 0.78 ALDH1A1 (0.36) MEN1KMT2ARAB9APRMT5WDR77
SCHEMBL828572 0.77 ALDH1A1 (0.35) MEN1KMT2APRMT5WDR77ALDH1A1
SCHEMBL829387 0.77 ALDH1A1 (0.35) MEN1KMT2APRMT5WDR77ALDH1A1
SCHEMBL27731519 0.76 TACR1 (0.38) OPRD1KCNH2MEN1KMT2ALMNA
SCHEMBL3335527 0.76 NPC1 (0.49) MEN1KMT2ALMNASMN1; SMN2NPC1
SCHEMBL22703159 0.74 NPC1 (0.45) MEN1KMT2ALMNASMN1; SMN2NPC1
SCHEMBL828662 0.74 NPC1 (0.42) MEN1KMT2ALMNASMN1; SMN2NPC1

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 OPRD1 3845/4885KCNH2 4531/4885MEN1 4101/4885
US-20130045938-A1 KINASE MODULATORS FOR THE TREATMENT OF CANCER MAP3K10, MAP3K12, MAP3K20 OPRD1 3845/4885KCNH2 4531/4885MEN1 4101/4885
US-20090270462-A1 2-SULFANYL-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS IL2, IL2RA, IL1B OPRD1 3140/4885KCNH2 4541/4885MEN1 3005/4885

“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.