SCHEMBL1414123

SCHEMBL1414123

CC(C)(C)OC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.49
▸ MDM4 O15151 2/20 0.48
▸ TP53 P04637 2/20 0.48
▸ CASP3 P42574 1/20 0.47
▸ PTPN1 P18031 2/20 0.46
▸ TLR2 O60603 1/20 0.45

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
SCHEMBL1414120 1.00 KMT2A (0.49) KMT2AMDM4TP53CASP3PTPN1
SCHEMBL29355082 0.90 MDM4 (0.56) MDM4TP53CASP3TLR2
SCHEMBL29047045 0.90 MDM4 (0.49) KMT2AMDM4TP53CASP3
SCHEMBL29624621 0.90 MDM4 (0.56) MDM4TP53CASP3TLR2
SCHEMBL119575 0.90 MDM4 (0.56) MDM4TP53CASP3TLR2
SCHEMBL598209 0.90 MDM4 (0.56) MDM4TP53CASP3TLR2
SCHEMBL119565 0.90 MDM4 (0.56) MDM4TP53CASP3TLR2
SCHEMBL29367497 0.90 MDM4 (0.56) MDM4TP53CASP3TLR2
SCHEMBL12677569 0.90 MDM4 (0.49) KMT2AMDM4TP53CASP3
SCHEMBL30802551 0.90 MDM4 (0.56) MDM4TP53CASP3TLR2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1966198-B1 2-AMINO-3,4-DIHYDRO-PYRIDO[3,4-D]PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (BE) 2011-03-16 — — EP disclosed
US-7531545-B2 2-amino-3,4-dihydro-pyrido[3,4-d]pyrimidine derivatives useful as inhibitors of β-secretase (BACE) JANSSEN PHARMACEUTICA, N.V. (BE) 2009-05-12 — — US disclosed
US-20070259898-A1 NOVEL 2-AMINO-3,4-DIHYDRO-PYRIDO[3,4-D]PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF beta-SECRETASE (BACE) BAXTER ELLEN E 2007-11-08 — — US 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-20070259898-A1 NOVEL 2-AMINO-3,4-DIHYDRO-PYRIDO[3,4-D]PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF beta-SECRETASE (BACE) BACE2, PSEN2, BACE1 KMT2A 1548/4885MDM4 1551/4885TP53 3026/4885

“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.

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