SCHEMBL4174618

SCHEMBL4174618

O=c1c2nccnc2n(CCc2ccccc2)c(=O)n1Cc1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.51
MAPT P10636 4/20 0.50
HDAC1 Q13547 4/20 0.50
HDAC6 Q9UBN7 4/20 0.50
HDAC8 Q9BY41 3/20 0.50
HDAC11 Q96DB2 2/20 0.50
THRB P10828 1/20 0.49
UBE2N P61088 1/20 0.46
KDM4E B2RXH2 2/20 0.45
POLB P06746 1/20 0.45
HIF1A Q16665 1/20 0.45
ALDH1A1 P00352 2/20 0.44
USP2 O75604 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
KDM4A O75164 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL4186155 0.92 TP53 (0.58) TP53MAPTTHRBUBE2NKDM4E
SCHEMBL4171474 0.87 TP53 (0.60) TP53MAPTTHRBUBE2NKDM4E
SCHEMBL4167289 0.86 KDM4E (0.55) TP53MAPTTHRBKDM4EALDH1A1
SCHEMBL4173503 0.84 TP53 (0.51) TP53MAPTTHRBUBE2NTSHR
SCHEMBL4171721 0.82 TP53 (0.51) TP53MAPTHDAC1HDAC6HDAC8
SCHEMBL4181523 0.81 UBE2N (0.49) TP53MAPTTHRBUBE2NKDM4E
SCHEMBL4168727 0.81 UBE2N (0.48) TP53MAPTTHRBUBE2NKDM4E
SCHEMBL13888992 0.81 UBE2N (0.48) TP53MAPTTHRBUBE2NKDM4E
SCHEMBL4171480 0.78 MAPT (0.56) TP53MAPTTHRBUBE2NKDM4E
SCHEMBL4188895 0.75 TP53 (0.46) TP53MAPTTHRBUBE2NHTT

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
US-20090088439-A1 Diazinane Compounds ASTRAZENECA AB (SE) 2009-04-02 US claimed
WO-2009041905-A1 PTERIDINE COMPOUNDS HAVING ACTIVITY ON THE GABA- RECEPTORS ASTRAZENECA AB (SE) 2009-04-02 WO claimed
US-20090088439-A1 Diazinane Compounds ASTRAZENECA AB (SE) 2009-04-02 US disclosed
US-20090088439-A1 Diazinane Compounds ASTRAZENECA AB (SE) 2009-04-02 US disclosed
US-20090088439-A1 Diazinane Compounds ASTRAZENECA AB (SE) 2009-04-02 US disclosed
WO-2009041905-A1 PTERIDINE COMPOUNDS HAVING ACTIVITY ON THE GABA- RECEPTORS ASTRAZENECA AB (SE) 2009-04-02 WO disclosed
WO-2009041905-A1 PTERIDINE COMPOUNDS HAVING ACTIVITY ON THE GABA- RECEPTORS ASTRAZENECA AB (SE) 2009-04-02 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-20090088439-A1 Diazinane Compounds GABRB1, GRPR, GIPR TP53 4809/4885MAPT 3675/4885HDAC1 1657/4885

“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.