SCHEMBL4853833

SCHEMBL4853833

CC1(C)CCc2c(nc[nH]c2=O)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 4/20 0.38
EGFR P00533 1/20 0.37
PARP1 P09874 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
ALDH1A1 P00352 3/20 0.33
CES1 P23141 3/20 0.33
LIMK1 P53667 1/20 0.33
KMT2A Q03164 2/20 0.33
HTT P42858 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
CHEK1 O14757 1/20 0.33
TSHR P16473 1/20 0.33
PDPK1 O15530 1/20 0.33
KDM4E B2RXH2 2/20 0.32
MAPK1 P28482 2/20 0.32
HPGD P15428 2/20 0.32
GLA P06280 1/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL855822 0.87 PARP1 (0.41) SRCEGFRPARP1TNKS2PARP2
SCHEMBL21243961 0.76 SRC (0.35) SRCEGFRALDH1A1KMT2AHTT
SCHEMBL23505890 0.75 ADRA1A (0.33) PARP1TNKS2PARP2
SCHEMBL1073971 0.74
SCHEMBL15434235 0.71 SRC (0.39) SRCEGFRPARP1TNKS2ALDH1A1
SCHEMBL2624085 0.71 TSHR (0.49) SRCPARP1TNKS2ALDH1A1KMT2A
SCHEMBL3542410 0.71 NPSR1 (0.49) SRCEGFRALDH1A1KMT2AHTT
SCHEMBL13911357 0.69 GAA (0.50) SRCPARP1TNKS2ALDH1A1KMT2A
SCHEMBL12349970 0.69 GAA (0.50) SRCPARP1TNKS2ALDH1A1KMT2A
SCHEMBL2261680 0.69 SRC (0.36) SRCEGFRPARP1ALDH1A1KMT2A

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-7375102-B2 Tetrahydroquinazolin-4(3H)-one-related and tetrahydropyrido[2,3-D]pyrimidin-4(3H)-one-related compounds, compositions and methods for their use AMGEN SF, LLC (US) 2008-05-20 US disclosed
EP-1765818-A1 TETRAHYDROQUINAZOLIN-4(3H)-ONE-RELATED AND TETRAHYDROPYRIDO[2,3-D]PYRIMIDIN-4(3H)-ONE-RELATED COMPOUNDS, COMPOSITIONS AND METHODS FOR THEIR USE Amgen SF LLC (US) 2007-03-28 EP disclosed
US-20060069106-A1 Tetrahydroquinazolin-4(3H)-one-related and tetrahydropyrido[2,3-D]pyrimidin-4(3H)-one-related compounds, compositions and methods for their use AMGEN SF, LLC 2006-03-30 US disclosed
WO-2006004925-A1 TETRAHYDROQUINAZOLIN-4(3H)-ONE-RELATED AND TETRAHYDROPYRIDO[2,3-D]PYRIMIDIN-4(3H)-ONE-RELATED COMPOUNDS, COMPOSITIONS AND METHODS FOR THEIR USE AMGEN SF, LLC (US) 2006-01-12 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-20060069106-A1 Tetrahydroquinazolin-4(3H)-one-related and tetrahydropyrido[2,3-D]pyrimidin-4(3H)-one-related compounds, compositions and methods for their use IFNG, IRF3, TBXA2R SRC 4753/4885EGFR 4811/4885PARP1 1011/4885

“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.