SCHEMBL4976208

SCHEMBL4976208

O=C(c1ccc(F)cc1F)N1CCc2cnc(N3CCN(C4CCC4)CC3)nc2CC1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
HSP90AB1 P08238 6/20 0.48
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
HSP90AA1 P07900 5/20 0.44
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HRH3 Q9Y5N1 3/20 0.41
HTT P42858 1/20 0.41
UBE2M P61081 1/20 0.40
DCUN1D1 Q96GG9 1/20 0.40
KCNH2 Q12809 1/20 0.40

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
SCHEMBL4977966 0.94 HSP90AB1 (0.48) KDM4EHSP90AB1KMT2AMEN1HSP90AA1
SCHEMBL4976947 0.89 MEN1 (0.53) KDM4EHSP90AB1KMT2AMEN1HSP90AA1
SCHEMBL4977103 0.88 HSP90AB1 (0.63) KDM4EHSP90AB1KMT2AMEN1HRH3
SCHEMBL4976453 0.86 HTT (0.56) KDM4EHSP90AB1SMN1; SMN2HRH3HTT
SCHEMBL4980401 0.86 HSP90AB1 (0.44) HSP90AB1HSP90AA1HRH3KCNH2
SCHEMBL4978075 0.85 HSP90AB1 (0.51) HSP90AB1KMT2AMEN1HSP90AA1HRH3
SCHEMBL4978522 0.85 KDM4E (0.49) KDM4EHSP90AB1KMT2AMEN1HSP90AA1
SCHEMBL4978120 0.84 HSP90AB1 (0.48) HSP90AB1HSP90AA1
SCHEMBL4975414 0.84 HSP90AB1 (0.46) KDM4EHSP90AB1HSP90AA1SMN1; SMN2HTT
SCHEMBL4973645 0.83 HSP90AB1 (0.49) HSP90AB1HSP90AA1HRH3HTTKCNH2

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-20080051387-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES AND RELATED ANALOGUES NEUROGEN CORPORATION 2008-02-28 US disclosed
US-20080051387-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES AND RELATED ANALOGUES NEUROGEN CORPORATION 2008-02-28 US disclosed
US-20080051387-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES AND RELATED ANALOGUES NEUROGEN CORPORATION 2008-02-28 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-20080051387-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES AND RELATED ANALOGUES HRH3, HRH4, HRH2 KDM4E 1865/4885HSP90AB1 2652/4885KMT2A 1417/4885

“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.