SCHEMBL5262271

SCHEMBL5262271

COc1cc2[nH]c(N3CCN(c4cccc(C)n4)CC3)nc(=O)c2c(OC)c1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR3E A5X5Y0 1/20 0.41
▸ HTR3B O95264 1/20 0.41
▸ HTR3A P46098 1/20 0.41
▸ HTR3D Q70Z44 1/20 0.41
▸ HTR3C Q8WXA8 1/20 0.41
▸ DCTPP1 Q9H773 4/20 0.39
▸ DRD4 P21917 1/20 0.39
▸ NPC1 O15118 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HCRTR1 O43613 1/20 0.37
▸ HCRTR2 O43614 1/20 0.37
▸ KMT2A Q03164 1/20 0.36
▸ CDK5 Q00535 1/20 0.36
▸ CDK5R1 Q15078 1/20 0.36
▸ NPY5R Q15761 1/20 0.36
▸ TNKS O95271 4/20 0.35
▸ TNKS2 Q9H2K2 4/20 0.35
▸ PARP1 P09874 1/20 0.35
▸ KCNH2 Q12809 2/20 0.35
▸ PARP10 Q53GL7 1/20 0.35

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
SCHEMBL5263654 0.93 HTR3E (0.41) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL5265193 0.87 PDE3B (0.39) DCTPP1NPC1SMN1; SMN2KMT2ANPY5R
SCHEMBL5260922 0.86 CDK5 (0.52) SMN1; SMN2KMT2ACDK5CDK5R1
SCHEMBL5259650 0.83 SUV39H2 (0.38) DCTPP1DRD4NPC1SMN1; SMN2KMT2A
SCHEMBL5265955 0.81 DCTPP1 (0.41) DCTPP1KMT2ACDK5CDK5R1TNKS
SCHEMBL5266876 0.80 CDK5 (0.50) SMN1; SMN2KMT2ACDK5CDK5R1
SCHEMBL5262125 0.79 KMT2A (0.40) KMT2ACDK5CDK5R1
SCHEMBL5319364 0.79 TSHR (0.49) DCTPP1NPC1SMN1; SMN2KMT2AKCNH2
SCHEMBL5259891 0.78 GFER (0.35) DCTPP1NPC1SMN1; SMN2KMT2ANPY5R
SCHEMBL5260022 0.78 MAPT (0.45) SMN1; SMN2KMT2AKCNH2

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-20050124607-A1 5-Substituted quinazolinone compounds useful as alpha 1A/B adrenergic receptor antagonists ROCHE PALO ALTO LLC 2005-06-09 — — US claimed
EP-1644343-B1 5-SUBSTITUTED QUINAZOLINONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2007-07-04 — — EP 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-20050124607-A1 5-Substituted quinazolinone compounds useful as alpha 1A/B adrenergic receptor antagonists ADRB1, ADRA1B, ADRB2 HTR3E 431/4885HTR3B 63/4885HTR3A 83/4885

“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.

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