SCHEMBL4976331

SCHEMBL4976331

Cc1ncccc1C(=O)N1CCc2c(ncnc2N2CCN(C3CCC3)CC2)C1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 15/20 0.47
KDM2B Q8NHM5 1/20 0.39
PDE2A O00408 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
HRH1 P35367 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
KCNK3 O14649 1/20 0.38
KCNK9 Q9NPC2 1/20 0.38

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
SCHEMBL4978694 0.89 KDM2B (0.52) P2RX7KDM2BALDH1A1HRH1HRH3
SCHEMBL4976392 0.85 MEN1 (0.49) P2RX7KDM4EMEN1ALDH1A1KMT2A
SCHEMBL4977982 0.85 KDM4E (0.53) P2RX7KDM4EMEN1ALDH1A1KMT2A
SCHEMBL4976500 0.84 P2RX7 (0.42) P2RX7KDM2BPDE2AMEN1KMT2A
SCHEMBL4974572 0.84 P2RX7 (0.43) P2RX7ALDH1A1HRH1HRH3KCNK3
SCHEMBL4978484 0.83 KDM2B (0.50) P2RX7KDM2BKDM4EMEN1ALDH1A1
SCHEMBL4980177 0.83 KCNK3 (0.49) P2RX7KDM2BKDM4EALDH1A1HRH1
SCHEMBL4976149 0.83 HPGD (0.46) P2RX7KDM4EMEN1ALDH1A1KMT2A
SCHEMBL4976388 0.82 KDM2B (0.53) P2RX7KDM2BKDM4EMEN1ALDH1A1
SCHEMBL4976310 0.80 TSHR (0.45) KDM4EMEN1ALDH1A1KMT2A

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 P2RX7 38/4885KDM2B 1937/4885PDE2A 2287/4885

“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.