SCHEMBL5120481

SCHEMBL5120481

CCCC(C)(C)Nc1c(-c2cc(C#Cc3ccccc3)cs2)nc2c(OCc3ccccc3)cccn12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 3/20 0.39
ATP4B P51164 3/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
MAPK1 P28482 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
KMT2A Q03164 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
PSEN1 P49768 12/20 0.36
PSEN2 P49810 12/20 0.36
APH1B Q8WW43 12/20 0.36
NCSTN Q92542 12/20 0.36
APH1A Q96BI3 12/20 0.36
PSENEN Q9NZ42 12/20 0.36
HRH3 Q9Y5N1 1/20 0.32
PTGER1 P34995 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
SCHEMBL5122353 0.81 ADRA1B (0.44) MEN1KMT2A
SCHEMBL5128243 0.80 ATP4A (0.41) ATP4AATP4BMEN1CYP1A2CYP3A4
SCHEMBL5120218 0.80 ALOX5 (0.41) ATP4AATP4BMEN1CYP1A2CYP3A4
SCHEMBL5125219 0.76 GAA (0.40) MEN1MAPK1KMT2A
SCHEMBL5117938 0.72 GAA (0.39) MEN1MAPK1KMT2A
SCHEMBL5122967 0.71 ATP4A (0.41) ATP4AATP4BMEN1CYP1A2CYP3A4
SCHEMBL5118769 0.71 ATP4A (0.40) ATP4AATP4BMEN1CYP1A2CYP3A4
SCHEMBL5122200 0.70 ATP4A (0.39) ATP4AATP4BMEN1CYP1A2CYP3A4
SCHEMBL5123589 0.69 NR1H4 (0.42) ATP4AATP4BMEN1CYP1A2CYP3A4
SCHEMBL6283231 0.69 ATP4A (0.60) ATP4AATP4BMEN1CYP1A2CYP3A4

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-1791840-B1 SUBSTITUTED BICYCLIC IMIDAZO-3-YLAMINE COMPOUNDS GRUENENTHAL GMBH (DE) 2013-11-27 EP claimed
US-7420056-B2 Substituted bicyclic imidazo-3-ylamine compounds GRUENENTHAL GMBH (DE) 2008-09-02 US claimed
US-20070155965-A1 SUBSTITUTED BICYCLIC IMIDAZO-3-YLAMINE COMPOUNDS GRUENENTHAL GMBH. (DE) 2007-07-05 US claimed
US-7420056-B2 Substituted bicyclic imidazo-3-ylamine compounds GRUENENTHAL GMBH (DE) 2008-09-02 US disclosed
US-20070155965-A1 SUBSTITUTED BICYCLIC IMIDAZO-3-YLAMINE COMPOUNDS GRUENENTHAL GMBH. (DE) 2007-07-05 US disclosed
EP-1791840-A1 SUBSTITUTED BICYCLIC IMIDAZO-3-YLAMINE COMPOUNDS Grünenthal GmbH (DE) 2007-06-06 EP disclosed
WO-2006029980-A1 SUBSTITUTED BICYCLIC IMIDAZO-3-YLAMINE COMPOUNDS Grünenthal GmbH (DE) 2006-03-23 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-20070155965-A1 SUBSTITUTED BICYCLIC IMIDAZO-3-YLAMINE COMPOUNDS AADAC, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, PAICS ATP4A 2875/4885ATP4B 3069/4885MEN1 1791/4885

“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.