SCHEMBL4980033

SCHEMBL4980033

O=C(Cc1ccccc1Cl)N1CCc2cnc(N3CCN(C4CCC4)CC3)nc2CC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.48
TP53 P04637 1/20 0.48
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.46
KMT2A Q03164 1/20 0.46
HSP90AB1 P08238 3/20 0.43
MAPK1 P28482 1/20 0.41
KDM2B Q8NHM5 1/20 0.41
PTPN11 Q06124 1/20 0.41
CCR3 P51677 2/20 0.40
DGAT1 O75907 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
SCHEMBL4978535 0.90 HSP90AB1 (0.44) MAPTTP53KDM4EALDH1A1KMT2A
SCHEMBL4976666 0.90 ERCC1 (0.46) HSP90AB1MAPK1CCR3
SCHEMBL4978128 0.89 DGAT1 (0.46) MAPTTP53KDM4EALDH1A1HSP90AB1
SCHEMBL4974618 0.89 HSP90AB1 (0.43) MAPTTP53KDM4EALDH1A1HSP90AB1
SCHEMBL4973587 0.89 LMNA (0.48) MAPTTP53KDM4EALDH1A1KMT2A
SCHEMBL4978643 0.89 ACHE (0.49) MAPTKDM4EALDH1A1KMT2AMAPK1
SCHEMBL4981532 0.88 HSP90AB1 (0.43) MAPTTP53HSP90AB1MAPK1
SCHEMBL4974974 0.88 KDM4E (0.42) MAPTTP53KDM4EALDH1A1HSP90AB1
SCHEMBL4976061 0.87 KDM4E (0.57) MAPTKDM4EALDH1A1HSP90AB1PTPN11
SCHEMBL4977153 0.87 RBP4 (0.48) MAPTKDM4EALDH1A1HSP90AB1PTPN11

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 MAPT 2301/4885TP53 1765/4885KDM4E 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.