SCHEMBL6795464

SCHEMBL6795464

O=c1[nH]c(CCCNCCc2ccccc2)nc2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.63
KMT2A Q03164 1/20 0.59
PDE10A Q9Y233 2/20 0.57
PARP2 Q9UGN5 1/20 0.56
TNKS2 Q9H2K2 1/20 0.54
HCAR2 Q8TDS4 4/20 0.53
ALDH1A1 P00352 1/20 0.53
SIGMAR1 Q99720 1/20 0.51
TUBB4A P04350 1/20 0.51
TUBB P07437 1/20 0.51
TUBA3C P0DPH7 1/20 0.51
TUBA1B P68363 1/20 0.51
TUBA4A P68366 1/20 0.51
TUBB4B P68371 1/20 0.51
TUBB3 Q13509 1/20 0.51
TUBB2A Q13885 1/20 0.51
TUBB8 Q3ZCM7 1/20 0.51
TUBA3E Q6PEY2 1/20 0.51
TUBA1A Q71U36 1/20 0.51
TUBA1C Q9BQE3 1/20 0.51

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
SCHEMBL6795593 0.96 PARP1 (0.64) PARP1KMT2APDE10APARP2TNKS2
SCHEMBL6795780 0.94 PARP1 (0.61) PARP1KMT2APDE10APARP2TNKS2
SCHEMBL4602305 0.86 ALDH1A1 (0.65) PARP1KMT2APDE10APARP2TNKS2
SCHEMBL30176852 0.86 PARP1 (0.73) PARP1KMT2APDE10APARP2TNKS2
SCHEMBL30176876 0.86 PARP1 (0.73) PARP1KMT2APDE10APARP2TNKS2
SCHEMBL6798298 0.85 PARP1 (0.60) PARP1KMT2APDE10APARP2TNKS2
SCHEMBL11288070 0.83 PDE10A (0.74) PARP1KMT2APDE10APARP2TNKS2
SCHEMBL29764103 0.83 PDE10A (0.74) PARP1KMT2APDE10APARP2TNKS2
SCHEMBL6798276 0.83 PARP1 (0.57) PARP1KMT2APDE10APARP2TNKS2
SCHEMBL6790215 0.82 PARP1 (0.54) PARP1KMT2APDE10APARP2TNKS2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040077667-A1 Quinazolinone derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-04-22 US disclosed
EP-1355888-A1 QUINAZOLINONE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-10-29 EP disclosed
WO-2002048117-A1 QUINAZOLINONE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-06-20 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-20040077667-A1 Quinazolinone derivatives PARP1, PARP9, PARP2 PARP1 1/4885KMT2A 1243/4885PDE10A 2013/4885

“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.