SCHEMBL4077172

SCHEMBL4077172

c1nc(N2CCN(C3CCC3)CC2)nc2c1CNCC2

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
TLR4 O00206 1/20 0.39
TLR9 Q9NR96 1/20 0.39
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
PTPN11 Q06124 1/20 0.38
HTR2C P28335 2/20 0.37
MAPT P10636 4/20 0.36
LMNA P02545 4/20 0.36
ACHE P22303 2/20 0.35
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
TSHR P16473 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TP53 P04637 1/20 0.34
CSF1R P07333 1/20 0.34

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
Hydrochloric Acid SCHEMBL4259301 0.99 POLB (0.65) POLBSMN1; SMN2TLR4TLR9TLR8
SCHEMBL4071219 0.91 POLB (0.54) POLBSMN1; SMN2TLR4TLR9TLR8
SCHEMBL4979788 0.83 TLR4 (0.45) POLBSMN1; SMN2TLR4TLR9TLR8
SCHEMBL22720338 0.81 SMN1; SMN2 (0.76) POLBSMN1; SMN2HTR2CMAPTLMNA
SCHEMBL4980361 0.81 MAPT (0.45) POLBSMN1; SMN2TLR4TLR9TLR8
SCHEMBL4979649 0.79 CYP11B2 (0.42) POLBSMN1; SMN2TLR4TLR9TLR8
SCHEMBL1020021 0.79 POLB (0.72) POLBSMN1; SMN2HTR2CALDH1A1TSHR
SCHEMBL28931394 0.76 POLB (0.68) POLBSMN1; SMN2HTR2CMAPTLMNA
SCHEMBL14297478 0.76 TLR4 (0.44) POLBSMN1; SMN2TLR4TLR9TLR8
SCHEMBL4976953 0.76 LMNA (0.52) POLBTLR4TLR9TLR8TLR7

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2029588-A4 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES AND RELATED ANALOGUES NEUROGEN CORP (US) 2009-08-05 EP disclosed
EP-2029588-A2 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES AND RELATED ANALOGUES Neurogen Corporation (US) 2009-03-04 EP 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
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 POLB 1658/4885SMN1; SMN2 3880/4885TLR4 721/4885

“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.