SCHEMBL5118769

SCHEMBL5118769

COc1cccc(Nc2c(-c3ccc(C#Cc4ccccc4)s3)nc3c(OCc4ccccc4)cccn23)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 3/20 0.40
ATP4B P51164 3/20 0.40
CYP1A2 P05177 3/20 0.39
CYP2C9 P11712 3/20 0.39
CYP3A4 P08684 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPK1 P28482 2/20 0.39
CYP2D6 P10635 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
MCL1 Q07820 1/20 0.38
GAA P10253 3/20 0.37
TP53 P04637 3/20 0.37
MAPT P10636 2/20 0.37
DYRK1B Q9Y463 2/20 0.37
ABCB1 P08183 1/20 0.37
HTR1A P08908 1/20 0.37
DRD2 P14416 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
SCHEMBL5122200 0.91 ATP4A (0.39) ATP4AATP4BCYP1A2CYP2C9CYP3A4
SCHEMBL5123589 0.85 NR1H4 (0.42) ATP4AATP4BCYP1A2CYP2C9CYP3A4
SCHEMBL5122967 0.81 ATP4A (0.41) ATP4AATP4BCYP1A2CYP2C9CYP3A4
SCHEMBL5128243 0.80 ATP4A (0.41) ATP4AATP4BCYP1A2CYP2C9CYP3A4
SCHEMBL5123825 0.80 MAPT (0.43) GAATP53MAPTSMN1; SMN2NPC1
SCHEMBL5117929 0.79 GAA (0.48) MEN1KMT2AMAPK1GAATP53
SCHEMBL5121816 0.76 PKM (0.43) MEN1KMT2AGAATP53MAPT
SCHEMBL5117116 0.75 NR1H4 (0.48) CYP1A2CYP2C9CYP3A4CYP2D6GAA
SCHEMBL5118779 0.75 CYP1A2 (0.39) ATP4AATP4BCYP1A2CYP2C9CYP3A4
SCHEMBL5118324 0.71 ALDH1A1 (0.42) GAATP53MAPTSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 3069/4885CYP1A2 250/4885

“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.