SCHEMBL4978175

SCHEMBL4978175

O=C(c1c(F)cccc1Cl)N1CCc2cnc(N3CCN(C4CCC4)CC3)nc2CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 4/20 0.45
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ABL1 P00519 2/20 0.43
BCR P11274 2/20 0.43
MGLL Q99685 1/20 0.42
TRPA1 O75762 1/20 0.41
MAPK14 Q16539 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM2B Q8NHM5 1/20 0.41
MAPK7 Q13164 1/20 0.40
PDE2A O00408 1/20 0.40
HRH3 Q9Y5N1 2/20 0.39
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 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
SCHEMBL4978522 0.94 KDM4E (0.49) HSP90AB1KDM4EALDH1A1MEN1KMT2A
SCHEMBL4974914 0.94 MEN1 (0.50) HSP90AB1KDM4EMEN1KMT2AMAPK14
SCHEMBL4978688 0.89 HSP90AB1 (0.43) HSP90AB1KDM4EALDH1A1ABL1BCR
SCHEMBL4976947 0.87 MEN1 (0.53) HSP90AB1KDM4EALDH1A1MEN1KMT2A
SCHEMBL4978487 0.86 HSP90AB1 (0.47) HSP90AB1MEN1KMT2AKDM2BHCRTR1
SCHEMBL4976243 0.86 KDM2B (0.54) HSP90AB1KDM4EALDH1A1KDM2BHRH3
SCHEMBL4976467 0.86 KMT2A (0.50) HSP90AB1KDM4EALDH1A1MEN1KMT2A
SCHEMBL4979609 0.85 HSP90AB1 (0.44) HSP90AB1KDM2BHCRTR1HCRTR2
SCHEMBL4976464 0.85 HSP90AB1 (0.51) HSP90AB1KDM4EALDH1A1MGLLL3MBTL1
SCHEMBL4976281 0.85 MAPT (0.47) HSP90AB1ALDH1A1L3MBTL1KDM2B

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 2652/4885KDM4E 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.