SCHEMBL4976704

SCHEMBL4976704

O=C(c1cccc(C(F)(F)F)c1)N1CCc2cnc(N3CCN(C4CCC4)CC3)nc2CC1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.47
HSP90AB1 P08238 2/20 0.46
KDM2B Q8NHM5 1/20 0.45
SLC6A7 Q99884 1/20 0.44
KMT2A Q03164 2/20 0.44
JAK2 O60674 1/20 0.43
SRC P12931 1/20 0.43
RBP4 P02753 1/20 0.43
HSD11B1 P28845 1/20 0.43
MGLL Q99685 2/20 0.42
GRM5 P41594 1/20 0.42
HTT P42858 1/20 0.42
MEN1 O00255 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TIPARP Q7Z3E1 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
SCHEMBL4980272 0.91 HSP90AB1 (0.44) HSP90AB1SMN1; SMN2
SCHEMBL4977010 0.89 HSP90AB1 (0.51) LMNAHPGDHSP90AB1SLC6A7KMT2A
SCHEMBL4976453 0.89 HTT (0.56) HPGDHSP90AB1GRM5HTTSMN1; SMN2
SCHEMBL4975997 0.87 KDM2B (0.55) HPGDHSP90AB1KDM2BKMT2AHTT
SCHEMBL4979083 0.87 ALDH1A1 (0.56) HSP90AB1KDM2BKMT2AMEN1
SCHEMBL4976359 0.86 HSP90AB1 (0.52) POLBHSP90AB1KDM2B
SCHEMBL4978877 0.86 KMT2A (0.51) POLBKDM2BKMT2AMEN1
SCHEMBL4979683 0.85 HSP90AB1 (0.44) HSP90AB1KDM2BKMT2AMGLL
SCHEMBL4976742 0.84 KDM2B (0.57) LMNAHPGDHSP90AB1KDM2BKMT2A
SCHEMBL4977072 0.84 LMNA (0.45) POLBLMNAHPGDKDM2BKMT2A

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 POLB 1658/4885LMNA 4534/4885HPGD 159/4885

“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.