SCHEMBL4980689

SCHEMBL4980689

O=C(Cc1ccc(Cl)cc1)N1CCc2cnc(N3CCN(C4CCC4)CC3)nc2CC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 2/20 0.48
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HRH3 Q9Y5N1 6/20 0.43
LMNA P02545 1/20 0.43
PANK3 Q9H999 1/20 0.42
GFER P55789 1/20 0.42
ATM Q13315 1/20 0.42
ME2 P23368 1/20 0.41
ME1 P48163 1/20 0.41
ME3 Q16798 1/20 0.41
KDM2B Q8NHM5 1/20 0.41
KCNH2 Q12809 1/20 0.41
GPR119 Q8TDV5 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPK1 P28482 1/20 0.40
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL4979654 0.91 MAPT (0.46) HSP90AB1KDM4EALDH1A1HRH3LMNA
SCHEMBL4978406 0.91 POLB (0.47) HSP90AB1KDM4EALDH1A1LMNAPANK3
SCHEMBL4977925 0.91 HSP90AB1 (0.48) HSP90AB1KDM4EALDH1A1HRH3PANK3
SCHEMBL4976061 0.91 KDM4E (0.57) HSP90AB1KDM4EALDH1A1HRH3ME2
SCHEMBL4976877 0.90 HRH3 (0.44) HSP90AB1KDM4EALDH1A1HRH3KCNH2
SCHEMBL4976114 0.90 PANK3 (0.53) HSP90AB1KDM4EALDH1A1PANK3KDM2B
SCHEMBL4974640 0.89 KDM4E (0.44) HSP90AB1KDM4EALDH1A1HRH3ATM
SCHEMBL4978329 0.89 KDM4E (0.51) HSP90AB1KDM4EALDH1A1HRH3KDM2B
SCHEMBL4978731 0.88 KDM4E (0.43) HSP90AB1KDM4EALDH1A1HRH3LMNA
SCHEMBL4979742 0.88 ALDH1A1 (0.48) HSP90AB1KDM4EALDH1A1HRH3LMNA

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 HSP90AB1 2652/4885KDM4E 1865/4885ALDH1A1 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.