SCHEMBL4977928

SCHEMBL4977928

Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCc2cnc(N3CCN(C4CCC4)CC3)nc2CC1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.58
POLB P06746 1/20 0.58
NPSR1 Q6W5P4 2/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.53
KMT2A Q03164 4/20 0.51
MEN1 O00255 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
TSHR P16473 3/20 0.48
GAA P10253 3/20 0.48
ATM Q13315 1/20 0.45
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HTT P42858 1/20 0.43
MAPT P10636 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
SCHEMBL4974914 0.88 MEN1 (0.50) KDM4EKMT2AMEN1SMN1; SMN2MAPT
SCHEMBL4975392 0.86 KDM4E (0.51) KDM4ECYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4978175 0.83 HSP90AB1 (0.45) KDM4EL3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL4979609 0.83 HSP90AB1 (0.44) MAPT
SCHEMBL4978487 0.81 HSP90AB1 (0.47) KMT2AMEN1GAA
SCHEMBL4976243 0.81 KDM2B (0.54) KDM4EGAALMNAALDH1A1HTT
SCHEMBL4975077 0.80 HSP90AB1 (0.49) KDM4ETSHRALDH1A1HTTMAPT
SCHEMBL4978522 0.80 KDM4E (0.49) KDM4EPOLBCYP2C9CYP2C19KMT2A
SCHEMBL4976713 0.80 HSP90AB1 (0.49) LMNA
SCHEMBL4979083 0.79 ALDH1A1 (0.56) KDM4ECYP2D6CYP2C19L3MBTL1KMT2A

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 KDM4E 1865/4885POLB 1658/4885NPSR1 195/4885

“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.