SCHEMBL4976310

SCHEMBL4976310

Cc1noc(C)c1C(=O)N1CCc2c(ncnc2N2CCN(C3CCC3)CC2)C1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.45
KDM4E B2RXH2 1/20 0.44
SMN1; SMN2 Q16637 5/20 0.39
ALDH1A1 P00352 5/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 2/20 0.38
HSD17B10 Q99714 4/20 0.38
HPGD P15428 3/20 0.38
HIF1A Q16665 1/20 0.38
MAPT P10636 1/20 0.37
CYP2C19 P33261 2/20 0.36
MAPK1 P28482 1/20 0.36
GFER P55789 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 1/20 0.36
USP2 O75604 1/20 0.36

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
SCHEMBL4978484 0.81 KDM2B (0.50) KDM4EALDH1A1MEN1KMT2A
SCHEMBL4976331 0.80 P2RX7 (0.47) KDM4EALDH1A1MEN1KMT2A
SCHEMBL4978191 0.80 GPR6 (0.41) KDM4ESMN1; SMN2
SCHEMBL4978694 0.80 KDM2B (0.52) SMN1; SMN2ALDH1A1LMNAHPGDCYP2C19
SCHEMBL4980177 0.79 KCNK3 (0.49) KDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL4976500 0.79 P2RX7 (0.42) SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL14273302 0.79 P2RX7 (0.36) MEN1KMT2A
SCHEMBL4980273 0.79 PDE2A (0.40) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL4974700 0.79 TLR7 (0.40) ALDH1A1MEN1KMT2ALMNAHIF1A
SCHEMBL4980362 0.79 HRH3 (0.39) ALDH1A1MEN1KMT2ALMNAHIF1A

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 TSHR 223/4885KDM4E 1865/4885SMN1; SMN2 3880/4885

“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.