SCHEMBL6524530

SCHEMBL6524530

Cc1ccc(-n2cccc(C)c2=O)cc1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 3/20 0.38
ALDH1A1 P00352 1/20 0.38
CASP1 P29466 1/20 0.38
RXFP1 Q9HBX9 1/20 0.37
PAK1 Q13153 6/20 0.37
KCNH2 Q12809 2/20 0.37
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37
TUBB3 Q13509 1/20 0.37
TUBB2A Q13885 1/20 0.37
TUBB8 Q3ZCM7 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
SCHEMBL2995217 0.83 PAK1 (0.44) PAK1KCNH2PAK2PKM
SCHEMBL1028959 0.83 RXFP1 (0.46) MAPTALDH1A1RXFP1PAK1KCNH2
SCHEMBL6522042 0.81 MAPT (0.43) MAPTKDM4EMEN1KMT2ANPSR1
SCHEMBL3834300 0.81 ALDH1A1 (0.40) MAPTKDM4EMEN1KMT2ANPSR1
SCHEMBL13907450 0.80 MAPT (0.49) MAPTALDH1A1RXFP1PAK1KCNH2
SCHEMBL6524527 0.78 CASP1 (0.40) MAPTMEN1KMT2ANPSR1ALDH1A1
SCHEMBL9292198 0.76 HSP90AA1 (0.49) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL747392 0.74 NOTUM (0.47) MAPTKDM4EMEN1KMT2ATDP1
SCHEMBL13153504 0.74 FAAH (0.38) MAPTMEN1KMT2AALDH1A1RXFP1
SCHEMBL14018033 0.74 PTGS2 (0.45) MAPTKDM4EALDH1A1RXFP1PKM

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-8435990-B2 Dihydropyrimidone amides as P2X7 modulators ROCHE PALO ALTO LLC (US) 2013-05-07 US disclosed
US-20110028502-A1 DIHYDROPYRIMIDONE AMIDES AS P2X7 MODULATORS BROTHERTON-PLEISS CHRISTINE E 2011-02-03 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-20110028502-A1 DIHYDROPYRIMIDONE AMIDES AS P2X7 MODULATORS P2RY1, P2RX7, P2RX3 MAPT 4154/4885KDM4E 2728/4885MEN1 2873/4885

“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.