SCHEMBL4975392

SCHEMBL4975392

Cc1noc(C)c1C(=O)N1CCc2cnc(N3CCN(C4CCC4)CC3)nc2CC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
TSHR P16473 3/20 0.45
ALDH1A1 P00352 5/20 0.45
HSD17B10 Q99714 4/20 0.42
HPGD P15428 3/20 0.42
HIF1A Q16665 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HSP90AA1 P07900 3/20 0.40
RAB9A P51151 1/20 0.39
MAPT P10636 2/20 0.39
CYP2C19 P33261 2/20 0.38
MAPK1 P28482 1/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL4977928 0.86 KDM4E (0.58) KDM4ETSHRALDH1A1SMN1; SMN2MEN1
SCHEMBL4978441 0.84 HSP90AA1 (0.45) HSP90AA1MAPT
SCHEMBL4979609 0.84 HSP90AB1 (0.44) HSP90AA1MAPT
SCHEMBL4980054 0.82 HSP90AA1 (0.41) SMN1; SMN2HSP90AA1RAB9AMAPTLMNA
SCHEMBL4981992 0.82 PKM (0.51) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL4978462 0.81 HSP90AB1 (0.44) KDM4EHPGDHSP90AA1MAPT
SCHEMBL4974914 0.81 MEN1 (0.50) KDM4EHSD17B10HPGDSMN1; SMN2MEN1
SCHEMBL4977211 0.81 POLB (0.48) HSP90AA1MAPT
SCHEMBL4979058 0.81 KDM2B (0.53) MEN1KMT2AHSP90AA1CYP2C19LMNA
SCHEMBL4978438 0.81 SIGLEC9 (0.40) ALDH1A1HPGDHSP90AA1MAPT

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 KDM4E 1865/4885TSHR 223/4885ALDH1A1 1142/4885

“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.