SCHEMBL4979585

SCHEMBL4979585

CCn1nc(C)cc1C(=O)N1CCc2c(ncnc2N2CCN(C3CCC3)CC2)C1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
KCNK3 O14649 1/20 0.37
KCNK9 Q9NPC2 1/20 0.37
TLR7 Q9NYK1 1/20 0.36
POLB P06746 3/20 0.34
P2RX7 Q99572 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PIK3CD O00329 1/20 0.33
NPC1 O15118 1/20 0.33
RECQL P46063 1/20 0.33
RAB9A P51151 1/20 0.33
PDE2A O00408 2/20 0.33
KRAS P01116 1/20 0.33

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
SCHEMBL4974700 0.82 TLR7 (0.40) ALDH1A1HTTKCNK3KCNK9TLR7
SCHEMBL4980273 0.80 PDE2A (0.40) KDM4EALDH1A1KCNK3KCNK9POLB
SCHEMBL4978484 0.79 KDM2B (0.50) KDM4EALDH1A1KCNK3KCNK9P2RX7
SCHEMBL4982023 0.79 KCNK3 (0.43) ALDH1A1HTTKCNK3KCNK9TLR7
SCHEMBL4976500 0.79 P2RX7 (0.42) KCNK3KCNK9P2RX7MEN1KMT2A
SCHEMBL14273302 0.79 P2RX7 (0.36) KCNK3KCNK9TLR7POLBP2RX7
SCHEMBL4976388 0.78 KDM2B (0.53) KDM4EALDH1A1HTTKCNK3KCNK9
SCHEMBL4978694 0.78 KDM2B (0.52) ALDH1A1HTTP2RX7
SCHEMBL4978085 0.77 KCNK3 (0.40) KCNK3KCNK9TLR7POLBMEN1
SCHEMBL4975023 0.77 TLR7 (0.38) KCNK3KCNK9TLR7P2RX7MEN1

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 KDM4E 1865/4885ALDH1A1 1142/4885HTT 640/4885

“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.