SCHEMBL860084

SCHEMBL860084

C=CCN(C(=O)OC(C)(C)C)c1cc(C)ccn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
PKM P14618 1/20 0.36
RAB9A P51151 1/20 0.36
SSTR4 P31391 1/20 0.36
F2 P00734 3/20 0.35
ALDH1A1 P00352 5/20 0.34
KDM4E B2RXH2 3/20 0.34
TDP1 Q9NUW8 1/20 0.34
P2RX3 P56373 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 2/20 0.33
SYK P43405 1/20 0.33
MEN1 O00255 1/20 0.33
AAK1 Q2M2I8 1/20 0.33
OPRM1 P35372 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
MAPK10 P53779 1/20 0.32
GSTO1 P78417 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
SCHEMBL828561 0.84 NPC1 (0.39) SMN1; SMN2NPC1TP53PKMRAB9A
SCHEMBL15074514 0.81 SSTR4 (0.39) SMN1; SMN2NPC1TP53PKMRAB9A
SCHEMBL828100 0.81 F2 (0.40) SMN1; SMN2NPC1TP53PKMRAB9A
SCHEMBL828343 0.79 POLB (0.50) SMN1; SMN2NPC1RAB9AALDH1A1LMNA
SCHEMBL16989216 0.79 TSPO (0.47) SMN1; SMN2NPC1TP53PKMRAB9A
SCHEMBL3335527 0.78 NPC1 (0.49) SMN1; SMN2NPC1TP53PKMRAB9A
SCHEMBL15286418 0.78 CKS1B (0.38) SMN1; SMN2NPC1TP53PKMRAB9A
SCHEMBL22703137 0.78 TSHR (0.39) SMN1; SMN2NPC1TP53PKMRAB9A
SCHEMBL17282348 0.77 TSHR (0.39) SMN1; SMN2NPC1TP53PKMRAB9A
SCHEMBL15286575 0.77 CKS1B (0.43) SMN1; SMN2TP53SSTR4F2ALDH1A1

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 6 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-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-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

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 SMN1; SMN2 4665/4885NPC1 4216/4885TP53 149/4885
US-20130045938-A1 KINASE MODULATORS FOR THE TREATMENT OF CANCER MAP3K10, MAP3K12, MAP3K20 SMN1; SMN2 4665/4885NPC1 4216/4885TP53 149/4885
US-20090270462-A1 2-SULFANYL-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS IL2, IL2RA, IL1B SMN1; SMN2 4574/4885NPC1 3126/4885TP53 1186/4885

“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.