SCHEMBL4980272

SCHEMBL4980272

O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCc2cnc(N3CCN(C4CCC4)CC3)nc2CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 4/20 0.44
USP2 O75604 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 2/20 0.41
HSD17B10 Q99714 1/20 0.41
CAMK1D Q8IU85 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP1A2 P05177 1/20 0.41
TSHR P16473 1/20 0.41
SCN9A Q15858 2/20 0.41
SCN10A Q9Y5Y9 1/20 0.41
HSP90AA1 P07900 4/20 0.40
HIF1A Q16665 1/20 0.39
MAPT P10636 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL4976704 0.91 POLB (0.47) HSP90AB1SMN1; SMN2
SCHEMBL4977010 0.91 HSP90AB1 (0.51) HSP90AB1CYP2C9CYP2C19CYP1A2TSHR
SCHEMBL4978462 0.86 HSP90AB1 (0.44) HSP90AB1CAMK1DHSP90AA1MAPTHRH3
SCHEMBL4980365 0.86 HSP90AB1 (0.48) HSP90AB1HSP90AA1HRH3
SCHEMBL4981391 0.86 HSP90AB1 (0.51) HSP90AB1HSP90AA1HRH3
SCHEMBL4979683 0.84 HSP90AB1 (0.44) HSP90AB1SCN9ASCN10AHSP90AA1
SCHEMBL4977103 0.84 HSP90AB1 (0.63) HSP90AB1HRH3
SCHEMBL4977942 0.84 KDM4E (0.53) HSP90AB1HSP90AA1MAPTHRH3
SCHEMBL4976359 0.84 HSP90AB1 (0.52) HSP90AB1HRH3
SCHEMBL4980322 0.83 PKM (0.55) HSP90AB1HSP90AA1HRH3

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 2652/4885USP2 4639/4885CYP2C9 1738/4885

“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.