SCHEMBL4171480

SCHEMBL4171480

COc1ccc(Cn2c(=O)n(Cc3ccc(Cl)cc3)c(=O)c3nccnc32)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.56
THRB P10828 2/20 0.56
UBE2N P61088 1/20 0.54
TP53 P04637 1/20 0.51
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.50
ALOX12 P18054 1/20 0.50
KMT2A Q03164 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
ADORA3 P0DMS8 2/20 0.47
PDE1B Q01064 1/20 0.47
KDM4E B2RXH2 1/20 0.47
NPBWR1 P48145 1/20 0.46
P2RX3 P56373 2/20 0.46
RXFP1 Q9HBX9 1/20 0.45
PROKR1 Q8TCW9 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
SCHEMBL4171474 0.90 TP53 (0.60) MAPTTHRBUBE2NTP53MEN1
SCHEMBL4174608 0.88 MAPT (0.51) MAPTTHRBUBE2NTP53MEN1
SCHEMBL4186155 0.85 TP53 (0.58) MAPTTHRBUBE2NTP53ALDH1A1
SCHEMBL7651132 0.84 MAPT (0.50) MAPTTHRBUBE2NMEN1KMT2A
SCHEMBL4173503 0.84 TP53 (0.51) MAPTTHRBUBE2NTP53LMNA
SCHEMBL4181523 0.81 UBE2N (0.49) MAPTTHRBUBE2NTP53MEN1
SCHEMBL13888992 0.81 UBE2N (0.48) MAPTTHRBUBE2NTP53ALDH1A1
SCHEMBL4168727 0.81 UBE2N (0.48) MAPTTHRBUBE2NTP53ALDH1A1
SCHEMBL4174618 0.78 TP53 (0.51) MAPTTHRBUBE2NTP53ALDH1A1
SCHEMBL4171661 0.78 TP53 (0.46) MAPTTHRBUBE2NTP53MEN1

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 MAPT 3675/4885THRB 619/4885UBE2N 3432/4885

“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.