SCHEMBL4975173

SCHEMBL4975173

O=C(Cc1c(F)cccc1F)N1CCc2cnc(N3CCN(C4CCC4)CC3)nc2CC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 5/20 0.44
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
PTPN11 Q06124 1/20 0.39
HSP90AA1 P07900 4/20 0.38
HRH3 Q9Y5N1 1/20 0.38
TLR4 O00206 1/20 0.37
TLR9 Q9NR96 1/20 0.37
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37

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
SCHEMBL4976467 0.94 KMT2A (0.50) HSP90AB1MAPTKMT2AKDM4EALDH1A1
SCHEMBL4974618 0.90 HSP90AB1 (0.43) HSP90AB1MAPTKDM4EALDH1A1PTPN11
SCHEMBL4978535 0.89 HSP90AB1 (0.44) HSP90AB1MAPTKMT2AKDM4EALDH1A1
SCHEMBL4978685 0.87 KDM4E (0.44) HSP90AB1KDM4EALDH1A1PTPN11HRH3
SCHEMBL4977925 0.86 HSP90AB1 (0.48) HSP90AB1MAPTKMT2AKDM4EALDH1A1
SCHEMBL4976061 0.86 KDM4E (0.57) HSP90AB1MAPTKDM4EALDH1A1PTPN11
SCHEMBL4978522 0.86 KDM4E (0.49) HSP90AB1MAPTKMT2AKDM4EALDH1A1
SCHEMBL4980401 0.85 HSP90AB1 (0.44) HSP90AB1HSP90AA1HRH3TLR4TLR9
SCHEMBL4978015 0.85 HSP90AB1 (0.41) HSP90AB1MAPTKDM4EALDH1A1PTPN11
SCHEMBL4976947 0.84 MEN1 (0.53) HSP90AB1KMT2AKDM4EALDH1A1PTPN11

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 2652/4885MAPT 2301/4885KMT2A 1417/4885

“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.