SCHEMBL4975336

SCHEMBL4975336

O=C(c1cccnc1)N1CCc2cnc(N3CCN(C4CCC4)CC3)nc2CC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 3/20 0.49
PDGFRB P09619 7/20 0.48
HPGD P15428 1/20 0.47
KDR P35968 6/20 0.45
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL4976359 0.90 HSP90AB1 (0.52) HSP90AB1HRH3ALDH1A1KDM4E
SCHEMBL4977942 0.90 KDM4E (0.53) HSP90AB1MAPTHRH3ALDH1A1KDM4E
SCHEMBL14346861 0.87 HRH3 (0.48) HSP90AB1PDGFRBHRH3ALDH1A1KDM4E
SCHEMBL4979034 0.86 L3MBTL3 (0.57) HSP90AB1HPGDMAPTHRH3ALDH1A1
SCHEMBL4975997 0.85 KDM2B (0.55) HSP90AB1HPGDMEN1KMT2AALDH1A1
SCHEMBL4979083 0.85 ALDH1A1 (0.56) HSP90AB1MEN1KMT2AHRH3ALDH1A1
SCHEMBL4976453 0.85 HTT (0.56) HSP90AB1HPGDKDRHRH3ALDH1A1
SCHEMBL14346848 0.85 HSP90AB1 (0.47) HSP90AB1HRH3
SCHEMBL4973611 0.85 HSP90AB1 (0.52) HSP90AB1HPGDHRH3
SCHEMBL4996485 0.85 HSP90AB1 (0.52) HSP90AB1HPGDMEN1KMT2AHRH3

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 4 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
WO-2007146122-A2 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES AND RELATED ANALOGUES NEUROGEN CORPORATION (US) 2007-12-21 WO 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 2652/4885PDGFRB 157/4885HPGD 159/4885

“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.