SCHEMBL4979693

SCHEMBL4979693

O=C(c1c(-c2ccccc2)nnc2ccccc12)N1CCc2cnc(N3CCN(C4CCC4)CC3)nc2CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.39
CYP2C9 P11712 4/20 0.38
HSP90AB1 P08238 3/20 0.38
TACR3 P29371 2/20 0.37
TACR2 P21452 1/20 0.37
OPRM1 P35372 1/20 0.37
TLR4 O00206 1/20 0.37
TLR9 Q9NR96 1/20 0.37
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
ALDH1A1 P00352 2/20 0.37
KMT2A Q03164 2/20 0.37
HIF1A Q16665 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
NPY1R P25929 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL4975409 0.83 CYP2C9 (0.56) CYP2C9ALDH1A1KDM4EHPGDHTT
SCHEMBL4996485 0.82 HSP90AB1 (0.52) PTPN11HSP90AB1ALDH1A1KMT2AKDM4E
SCHEMBL14346471 0.82 LMNA (0.43) PTPN11HSP90AB1ALDH1A1KMT2AKDM4E
SCHEMBL4976359 0.82 HSP90AB1 (0.52) PTPN11HSP90AB1ALDH1A1KDM4EACACB
SCHEMBL4978051 0.81 SLC6A7 (0.53) PTPN11HSP90AB1HCRTR1HCRTR2ALDH1A1
SCHEMBL4976751 0.81 CCR3 (0.46) PTPN11CYP2C9HSP90AB1HCRTR1HCRTR2
SCHEMBL4974914 0.80 MEN1 (0.50) PTPN11HSP90AB1HCRTR1HCRTR2KMT2A
SCHEMBL4976323 0.80 ALDH1A1 (0.56) PTPN11HSP90AB1HCRTR1HCRTR2ALDH1A1
SCHEMBL4979609 0.79 HSP90AB1 (0.44) PTPN11HSP90AB1TLR4TLR9TLR8
SCHEMBL4978522 0.79 KDM4E (0.49) PTPN11CYP2C9HSP90AB1HCRTR1HCRTR2

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 PTPN11 4015/4885CYP2C9 1738/4885HSP90AB1 2652/4885

“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.