SCHEMBL4980401

SCHEMBL4980401

O=C(Cc1ccc(F)cc1F)N1CCc2cnc(N3CCN(C4CCC4)CC3)nc2CC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 4/20 0.44
KCNH2 Q12809 4/20 0.40
GPR119 Q8TDV5 4/20 0.40
GPR6 P46095 4/20 0.40
CCR4 P51679 1/20 0.39
JAK2 O60674 1/20 0.38
HRH3 Q9Y5N1 2/20 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
PANK3 Q9H999 1/20 0.37
HSP90AA1 P07900 1/20 0.36
LIPE Q05469 1/20 0.36

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
SCHEMBL4981532 0.92 HSP90AB1 (0.43) HSP90AB1KCNH2GPR119CCR4HRH3
SCHEMBL4974618 0.90 HSP90AB1 (0.43) HSP90AB1HRH3
SCHEMBL4977925 0.88 HSP90AB1 (0.48) HSP90AB1HRH3PANK3
SCHEMBL4978685 0.86 KDM4E (0.44) HSP90AB1KCNH2HRH3
SCHEMBL4976208 0.86 KDM4E (0.50) HSP90AB1KCNH2HRH3HSP90AA1
SCHEMBL4975173 0.85 HSP90AB1 (0.44) HSP90AB1HRH3TLR4TLR9TLR8
SCHEMBL4976666 0.84 ERCC1 (0.46) HSP90AB1CCR4
SCHEMBL4977966 0.83 HSP90AB1 (0.48) HSP90AB1KCNH2HRH3HSP90AA1
SCHEMBL4976467 0.83 KMT2A (0.50) HSP90AB1
SCHEMBL4981561 0.82 HSP90AB1 (0.47) HSP90AB1KCNH2HRH3

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 2652/4885KCNH2 1452/4885GPR119 158/4885

“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.