SCHEMBL2461887

SCHEMBL2461887

CCC1CN(c2ccc3nc(-c4ccc(F)c(OC)c4)n(CC(=O)OC(C)(C)C)c(=O)c3c2)CC(C)(C)CN1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 13/20 0.41
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
JAK3 P52333 1/20 0.35
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
GHSR Q92847 1/20 0.32
PDE5A O76074 1/20 0.32
USP7 Q93009 1/20 0.31

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
SCHEMBL2461959 0.95 AVPR1B (0.40) AVPR1BJAK2JAK1JAK3KDM4E
SCHEMBL2457049 0.92 AVPR1B (0.42) AVPR1BJAK2JAK1JAK3KDM4E
SCHEMBL2466553 0.92 AVPR1B (0.44) AVPR1BKDM4EMEN1ALDH1A1POLB
SCHEMBL2458659 0.90 AVPR1B (0.43) AVPR1BJAK2JAK1JAK3GHSR
SCHEMBL3451949 0.88 AVPR1B (0.56) AVPR1B
SCHEMBL2458698 0.86 AVPR1B (0.43) AVPR1BKDM4EMEN1ALDH1A1POLB
SCHEMBL2459891 0.83 AVPR1B (0.45) AVPR1BKDM4EMEN1ALDH1A1POLB
SCHEMBL2456334 0.83 AVPR1B (0.55) AVPR1B
SCHEMBL12334746 0.83 AVPR1B (0.55) AVPR1B
SCHEMBL2465136 0.82 AVPR1B (0.46) AVPR1BGHSR

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
EP-2069315-B1 QUINAZOLINONE AND ISOQUINOLINONE ACETAMIDE DERIVATIVES ORGANON NV (NL) 2011-09-07 EP 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

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 839/4885JAK2 651/4885JAK1 880/4885

“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.