SCHEMBL4978487

SCHEMBL4978487

O=C(c1cccc(Cl)c1Cl)N1CCc2cnc(N3CCN(C4CCC4)CC3)nc2CC1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 6/20 0.47
KDM2B Q8NHM5 1/20 0.46
GAA P10253 1/20 0.45
HCRTR1 O43613 1/20 0.44
HCRTR2 O43614 1/20 0.44
P2RX7 Q99572 4/20 0.43
HSP90AA1 P07900 4/20 0.41
PTPN11 Q06124 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 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
SCHEMBL4976243 0.93 KDM2B (0.54) HSP90AB1KDM2BGAAHCRTR1HCRTR2
SCHEMBL4974914 0.91 MEN1 (0.50) HSP90AB1KDM2BHCRTR1HCRTR2HSP90AA1
SCHEMBL4978097 0.89 P2RX7 (0.49) P2RX7
SCHEMBL4978732 0.88 HSP90AB1 (0.51) HSP90AB1KDM2BHCRTR1HCRTR2HSP90AA1
SCHEMBL4978175 0.86 HSP90AB1 (0.45) HSP90AB1KDM2BHCRTR1HCRTR2MEN1
SCHEMBL4976323 0.86 ALDH1A1 (0.56) HSP90AB1GAAHCRTR1HCRTR2HSP90AA1
SCHEMBL4976947 0.86 MEN1 (0.53) HSP90AB1HCRTR1HCRTR2HSP90AA1PTPN11
SCHEMBL4976881 0.85 GBA1 (0.46) HSP90AB1KDM2BHCRTR1HCRTR2HSP90AA1
SCHEMBL4977057 0.85 HSP90AB1 (0.48) HSP90AB1KDM2BHSP90AA1
SCHEMBL4978120 0.85 HSP90AB1 (0.48) HSP90AB1KDM2BP2RX7HSP90AA1

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 2652/4885KDM2B 1937/4885GAA 2670/4885

“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.