SCHEMBL7005337

SCHEMBL7005337

O=C(NCC1Cc2cccc3c(=O)[nH]c(=O)n(c23)C1)c1ccnnc1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.38
DRD2 P14416 6/20 0.36
DRD3 P35462 6/20 0.36
PARP1 P09874 2/20 0.36
PREP P48147 1/20 0.36
CDK4 P11802 2/20 0.35
CCND1 P24385 2/20 0.35
CCNE2 O96020 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 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
SCHEMBL7004878 0.90 USP30 (0.42) HTR1ADRD2DRD3PARP1PREP
SCHEMBL7003016 0.89 THRB (0.42) HTR1APREP
SCHEMBL7002574 0.86 CTSL (0.44) HTR1ADRD2DRD3PARP1CDK4
SCHEMBL7078596 0.83 KDM4E (0.43) HTR1APARP1
Hydrochloric Acid SCHEMBL7001226 0.82 HDAC3 (0.41) HTR1ADRD2DRD3CDK4CCND1
SCHEMBL7005191 0.82 PARP1 (0.42) HTR1ADRD2DRD3PARP1
SCHEMBL7003217 0.81 DRD2 (0.41) HTR1ADRD2DRD3
SCHEMBL7008105 0.81 MTNR1A (0.50) HTR1ADRD2DRD3CDK4CCND1
SCHEMBL7004553 0.80 DRD2 (0.40) HTR1ADRD2DRD3PARP1
SCHEMBL7006730 0.80 KDM4E (0.44) HTR1ADRD2DRD3

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-20030105118-A1 Tricyclic quinazolinediones SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2003-06-05 US disclosed
EP-1288216-A1 TRICYCLIC QUINAZOLINEDIONES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2003-03-05 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-20030105118-A1 Tricyclic quinazolinediones PARP1, PARP11, PARP2 HTR1A 135/4885DRD2 1008/4885DRD3 878/4885

“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.