SCHEMBL4979080

SCHEMBL4979080

O=C(c1csnn1)N1CCc2cnc(N3CCN(C4CCC4)CC3)nc2CC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 4/20 0.43
ALDH1A1 P00352 4/20 0.40
HSD17B10 Q99714 3/20 0.40
HPGD P15428 1/20 0.40
CYP1A2 P05177 4/20 0.40
CYP3A4 P08684 2/20 0.40
TSHR P16473 2/20 0.40
CYP2C19 P33261 1/20 0.40
MAPT P10636 1/20 0.39
HSP90AB1 P08238 4/20 0.39
HSP90AA1 P07900 5/20 0.39
HRH3 Q9Y5N1 2/20 0.38
CYP2C9 P11712 1/20 0.37
PTPN11 Q06124 1/20 0.36

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
SCHEMBL4976153 0.84 HSP90AB1 (0.48) MAPTHSP90AB1HRH3PTPN11
SCHEMBL4977211 0.83 POLB (0.48) MAPTHSP90AB1HSP90AA1HRH3
SCHEMBL4977801 0.81 POLB (0.49) ALDH1A1MAPTHSP90AB1HSP90AA1
SCHEMBL4980389 0.81 HSP90AB1 (0.45) HSP90AB1HSP90AA1HRH3PTPN11
SCHEMBL4978212 0.81 MAPT (0.43) ALDH1A1MAPTHSP90AB1HSP90AA1HRH3
SCHEMBL4976398 0.81 HCRTR1 (0.45) MAPTHSP90AB1HSP90AA1HRH3PTPN11
SCHEMBL4979814 0.81 HSP90AB1 (0.40) ALDH1A1MAPTHSP90AB1HSP90AA1HRH3
SCHEMBL4976359 0.81 HSP90AB1 (0.52) ALDH1A1HSP90AB1HRH3PTPN11
SCHEMBL4977942 0.81 KDM4E (0.53) ALDH1A1MAPTHSP90AB1HSP90AA1HRH3
SCHEMBL4977945 0.80 HCRTR1 (0.47) ALDH1A1MAPTHSP90AB1HSP90AA1PTPN11

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 CYP2D6 931/4885ALDH1A1 1142/4885HSD17B10 4078/4885

“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.