SCHEMBL4977925

SCHEMBL4977925

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

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 2/20 0.48
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 3/20 0.45
PKM P14618 2/20 0.44
POLB P06746 2/20 0.44
ME2 P23368 1/20 0.41
ME1 P48163 1/20 0.41
ME3 Q16798 1/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALOX12 P18054 1/20 0.41
HRH3 Q9Y5N1 3/20 0.40
PANK3 Q9H999 1/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL4980689 0.91 HSP90AB1 (0.48) HSP90AB1ALDH1A1KDM4EME2ME1
SCHEMBL4978406 0.91 POLB (0.47) HSP90AB1ALDH1A1KDM4EPOLBMAPT
SCHEMBL4979654 0.91 MAPT (0.46) HSP90AB1ALDH1A1KDM4EMAPTMEN1
SCHEMBL4976061 0.91 KDM4E (0.57) HSP90AB1ALDH1A1KDM4EME2ME1
SCHEMBL4974912 0.90 ME2 (0.44) HSP90AB1ALDH1A1KDM4EME2ME1
SCHEMBL4978685 0.89 KDM4E (0.44) HSP90AB1ALDH1A1KDM4EHRH3MAPK1
SCHEMBL4978329 0.89 KDM4E (0.51) HSP90AB1ALDH1A1KDM4EMAPTHRH3
SCHEMBL4976114 0.88 PANK3 (0.53) HSP90AB1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL4978731 0.88 KDM4E (0.43) HSP90AB1ALDH1A1KDM4EPOLBMAPT
SCHEMBL4979742 0.88 ALDH1A1 (0.48) HSP90AB1ALDH1A1KDM4EMAPTKMT2A

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 HSP90AB1 2652/4885ALDH1A1 1142/4885KDM4E 1865/4885

“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.