SCHEMBL4978458

SCHEMBL4978458

COc1ccc(C(=O)N2CCc3c(ncnc3N3CCN(C4CCC4)CC3)C2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 2/20 0.52
KDM4E B2RXH2 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
KCNK3 O14649 1/20 0.44
KCNK9 Q9NPC2 1/20 0.44
HPGD P15428 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PDE4B Q07343 1/20 0.42
PDE4D Q08499 1/20 0.42
HRH3 Q9Y5N1 2/20 0.42
LMNA P02545 1/20 0.41
SLC6A7 Q99884 1/20 0.41
PKM P14618 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
HRH1 P35367 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
SCHEMBL4978484 0.90 KDM2B (0.50) KDM2BKDM4EKCNK3KCNK9ALDH1A1
SCHEMBL4976699 0.89 KDM2B (0.55) KDM2BKDM4EHPGDALDH1A1PDE4B
SCHEMBL4978542 0.88 KDM4E (0.47) KDM4EKCNK3KCNK9ALDH1A1HRH3
SCHEMBL4980177 0.88 KCNK3 (0.49) KDM2BKDM4EKCNK3KCNK9ALDH1A1
SCHEMBL4976255 0.87 KCNK3 (0.44) KDM2BKCNK3KCNK9ALDH1A1SMN1; SMN2
SCHEMBL4975210 0.86 KDM4E (0.44) KDM4EKCNK3KCNK9HPGDALDH1A1
SCHEMBL4977982 0.84 KDM4E (0.53) KDM4EALDH1A1PDE4BGAAKMT2A
SCHEMBL4976388 0.83 KDM2B (0.53) KDM2BKDM4EKCNK3KCNK9HPGD
SCHEMBL4980329 0.82 KMT2A (0.43) KDM2BKDM4EKCNK3KCNK9ALDH1A1
SCHEMBL4976149 0.81 HPGD (0.46) KDM4EKCNK3KCNK9HPGDALDH1A1

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 KDM2B 1937/4885KDM4E 1865/4885TDP1 899/4885

“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.