SCHEMBL4980370

SCHEMBL4980370

CNC(=O)c1ccc(N2CCc3nc(N4CCN5C(C)CCCC5C4)ncc3C2)nc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.40
CXCR3 P49682 7/20 0.38
HDAC1 Q13547 1/20 0.37
HSP90AB1 P08238 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPK1 P28482 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36
PARP1 P09874 1/20 0.36
KDR P35968 1/20 0.35

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
SCHEMBL4979945 0.87 HRH3 (0.49) HRH3HDAC1HSP90AB1PARP1
SCHEMBL4976874 0.81 HRH3 (0.51) HRH3HDAC1PARP1
SCHEMBL4978957 0.80 HRH3 (0.54) HRH3HDAC1PARP1
SCHEMBL4979338 0.77 HRH3 (0.53) HRH3HDAC1HSP90AB1
SCHEMBL16612501 0.76 HRH3 (0.47) HRH3
SCHEMBL2596398 0.76 HRH3 (0.47) HRH3
SCHEMBL14273436 0.74 TLR4 (0.36) HRH3HSP90AB1SMN1; SMN2
SCHEMBL4975107 0.74 TLR4 (0.36) HRH3HSP90AB1SMN1; SMN2
SCHEMBL4975116 0.74 HCRTR1 (0.35) HSP90AB1SMN1; SMN2
SCHEMBL12181955 0.73 HRH3 (0.48) HRH3

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 HRH3 1/4885CXCR3 296/4885HDAC1 1356/4885

“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.