SCHEMBL4975997

SCHEMBL4975997

Cc1cccc(C(=O)N2CCc3cnc(N4CCN(C5CCC5)CC4)nc3CC2)c1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 3/20 0.55
GBA1 P04062 1/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HSP90AB1 P08238 3/20 0.46
HPGD P15428 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.43
L3MBTL3 Q96JM7 1/20 0.43
CHRM1 P11229 1/20 0.42
HTT P42858 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL4978462 0.91 HSP90AB1 (0.44) KDM2BHSP90AB1HPGDKDM4E
SCHEMBL4976453 0.89 HTT (0.56) HSP90AB1HPGDL3MBTL1L3MBTL3HTT
SCHEMBL4979083 0.89 ALDH1A1 (0.56) KDM2BMEN1KMT2AHSP90AB1L3MBTL1
SCHEMBL4979058 0.89 KDM2B (0.53) KDM2BGBA1MEN1KMT2AHSP90AB1
SCHEMBL4976359 0.89 HSP90AB1 (0.52) KDM2BHSP90AB1L3MBTL1L3MBTL3KDM4E
SCHEMBL4976742 0.89 KDM2B (0.57) KDM2BMEN1KMT2AHSP90AB1HPGD
SCHEMBL4976299 0.88 HSP90AB1 (0.48) KDM2BKMT2AHSP90AB1HPGDL3MBTL1
SCHEMBL4975212 0.87 KDM2B (0.47) KDM2BMEN1KMT2AHSP90AB1HPGD
SCHEMBL4976704 0.87 POLB (0.47) KDM2BMEN1KMT2AHSP90AB1HPGD
SCHEMBL4978537 0.86 HSP90AB1 (0.52) MEN1KMT2AHSP90AB1HPGDALDH1A1

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 KDM2B 1937/4885GBA1 3687/4885MEN1 4419/4885

“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.