SCHEMBL3450827

SCHEMBL3450827

COc1cc(-c2nc3ccc(N4CCCNCC4)cc3c(=O)n2CC(=O)NC(C)(C)C)ccc1F

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 14/20 0.51
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
KDR P35968 1/20 0.40
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
IDO2 Q6ZQW0 1/20 0.39
TGFBR1 P36897 2/20 0.38
ACVR1 Q04771 2/20 0.38

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
SCHEMBL8204120 0.91 AVPR1B (0.50) AVPR1BIDO1TDO2IDO2
SCHEMBL2459839 0.91 AVPR1B (0.62) AVPR1B
SCHEMBL2458723 0.90 AVPR1B (0.49) AVPR1BIDO1TDO2IDO2
SCHEMBL2461117 0.89 AVPR1B (0.53) AVPR1BKDM4EMEN1ALDH1A1POLB
SCHEMBL2458807 0.88 AVPR1B (0.52) AVPR1B
SCHEMBL3451853 0.87 AVPR1B (0.53) AVPR1BTGFBR1ACVR1
SCHEMBL2463572 0.87 AVPR1B (0.54) AVPR1BIDO1TDO2IDO2
SCHEMBL2456380 0.86 AVPR1B (0.51) AVPR1B
SCHEMBL2462426 0.86 AVPR1B (0.60) AVPR1B
SCHEMBL2487319 0.86 AVPR1B (0.48) AVPR1BIDO1TDO2IDO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7820649-B2 Quinazolinone and isoquinolinone acetamide derivatives N.V. ORGANON (NL) 2010-10-26 US disclosed
US-7820649-B2 Quinazolinone and isoquinolinone acetamide derivatives N.V. ORGANON (NL) 2010-10-26 US disclosed
US-7820649-B2 Quinazolinone and isoquinolinone acetamide derivatives N.V. ORGANON (NL) 2010-10-26 US disclosed
US-20080090802-A1 QUINAZOLINONE AND ISOQUINOLINONE ACETAMIDE DERIVATIVES N.V. ORGANON (NL) 2008-04-17 US disclosed
US-20080090802-A1 QUINAZOLINONE AND ISOQUINOLINONE ACETAMIDE DERIVATIVES N.V. ORGANON (NL) 2008-04-17 US disclosed
US-20080090802-A1 QUINAZOLINONE AND ISOQUINOLINONE ACETAMIDE DERIVATIVES N.V. ORGANON (NL) 2008-04-17 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-20080090802-A1 QUINAZOLINONE AND ISOQUINOLINONE ACETAMIDE DERIVATIVES NQO2, GATD3, SDHA AVPR1B 839/4885KDM4E 2909/4885MEN1 3233/4885

“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.