SCHEMBL4977966

SCHEMBL4977966

O=C(c1cc(F)ccc1F)N1CCc2cnc(N3CCN(C4CCC4)CC3)nc2CC1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 6/20 0.48
HSP90AA1 P07900 6/20 0.43
KDM4E B2RXH2 1/20 0.42
PARP1 P09874 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HRH3 Q9Y5N1 2/20 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
SCHEMBL4976208 0.94 KDM4E (0.50) HSP90AB1HSP90AA1KDM4EMEN1KMT2A
SCHEMBL4976947 0.90 MEN1 (0.53) HSP90AB1HSP90AA1KDM4EMEN1KMT2A
SCHEMBL4977103 0.87 HSP90AB1 (0.63) HSP90AB1KDM4EMEN1KMT2AHRH3
SCHEMBL4978075 0.86 HSP90AB1 (0.51) HSP90AB1HSP90AA1MEN1KMT2AHRH3
SCHEMBL4976453 0.85 HTT (0.56) HSP90AB1KDM4EHRH3KCNH2
SCHEMBL4978522 0.84 KDM4E (0.49) HSP90AB1HSP90AA1KDM4EMEN1KMT2A
SCHEMBL4976464 0.84 HSP90AB1 (0.51) HSP90AB1KDM4EHRH3KCNH2
SCHEMBL4973645 0.84 HSP90AB1 (0.49) HSP90AB1HSP90AA1HRH3KCNH2
SCHEMBL4977057 0.84 HSP90AB1 (0.48) HSP90AB1HSP90AA1KDM4E
SCHEMBL4978120 0.84 HSP90AB1 (0.48) HSP90AB1HSP90AA1

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 HSP90AB1 2652/4885HSP90AA1 2689/4885KDM4E 1865/4885

“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.