SCHEMBL4976392

SCHEMBL4976392

O=C(c1ccccc1F)N1CCc2c(ncnc2N2CCN(C3CCC3)CC2)C1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
P2RX7 Q99572 10/20 0.46
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
GRM5 P41594 1/20 0.43
HRH1 P35367 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
HTT P42858 1/20 0.40

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) P2RX7ALDH1A1LMNAHRH1HRH3
SCHEMBL4980177 0.86 KCNK3 (0.49) P2RX7KDM4EALDH1A1LMNAL3MBTL1
SCHEMBL4977982 0.86 KDM4E (0.53) MEN1KMT2AP2RX7KDM4EALDH1A1
SCHEMBL4976331 0.85 P2RX7 (0.47) MEN1KMT2AP2RX7KDM4EALDH1A1
SCHEMBL4978542 0.85 KDM4E (0.47) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL4974572 0.84 P2RX7 (0.43) P2RX7ALDH1A1L3MBTL1HRH1HRH3
SCHEMBL4976961 0.83 HTT (0.53) KDM4EALDH1A1L3MBTL1GRM5HRH3
SCHEMBL4976500 0.82 P2RX7 (0.42) MEN1KMT2AP2RX7LMNAL3MBTL1
SCHEMBL4978191 0.81 GPR6 (0.41) P2RX7KDM4EL3MBTL1HRH1HRH3
SCHEMBL4978912 0.81 KDM4E (0.55) MEN1KMT2AKDM4EALDH1A1LMNA

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 MEN1 4419/4885KMT2A 1417/4885P2RX7 38/4885

“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.