SCHEMBL4978191

SCHEMBL4978191

O=C(c1ccno1)N1CCc2c(ncnc2N2CCN(C3CCC3)CC2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR6 P46095 2/20 0.41
P2RX7 Q99572 5/20 0.40
PIK3CA P42336 2/20 0.40
MTOR P42345 1/20 0.40
PIK3CD O00329 1/20 0.39
CHRM2 P08172 1/20 0.38
HRH3 Q9Y5N1 2/20 0.38
HRH1 P35367 1/20 0.38
CHRNA4 P43681 2/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA7 P36544 1/20 0.36
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KCNK3 O14649 1/20 0.36
KCNK9 Q9NPC2 1/20 0.36
DGAT1 O75907 1/20 0.35
KRAS P01116 1/20 0.35
GABRG2 P18507 1/20 0.35

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
SCHEMBL4978912 0.85 KDM4E (0.55) KDM4ESMN1; SMN2L3MBTL1
SCHEMBL4978542 0.83 KDM4E (0.47) HRH3HRH1KDM4EKCNK3KCNK9
SCHEMBL4980177 0.82 KCNK3 (0.49) P2RX7HRH3HRH1KDM4ESMN1; SMN2
SCHEMBL4974572 0.82 P2RX7 (0.43) P2RX7HRH3HRH1SMN1; SMN2KCNK3
SCHEMBL4976392 0.81 MEN1 (0.49) P2RX7HRH3HRH1KDM4EL3MBTL1
SCHEMBL4980329 0.81 KMT2A (0.43) P2RX7PIK3CAPIK3CDHRH3HRH1
SCHEMBL4978484 0.81 KDM2B (0.50) P2RX7HRH3HRH1KDM4EKCNK3
SCHEMBL4976149 0.80 HPGD (0.46) P2RX7PIK3CAPIK3CDHRH3HRH1
SCHEMBL4974693 0.80 HRH3 (0.40) P2RX7PIK3CAMTORHRH3HRH1
SCHEMBL4978472 0.80 HRH3 (0.40) P2RX7PIK3CAMTORHRH3HRH1

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 GPR6 98/4885P2RX7 38/4885PIK3CA 437/4885

“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.