SCHEMBL4802049

SCHEMBL4802049

COc1cc(N2CCN(CC(C)NC(=O)OCc3ccccc3)CC2)ccc1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.44
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CTSK P43235 1/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 2/20 0.42
TMEM97 Q5BJF2 4/20 0.42
SIGMAR1 Q99720 4/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.42
GFER P55789 2/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
OPRK1 P41145 2/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL1291301 0.79 TMEM97 (0.57) KMT2AMEN1TMEM97SIGMAR1HRH1
SCHEMBL519957 0.76 INSR (0.48) KMT2AMEN1ADRA1DADRA1AADRA1B
SCHEMBL519652 0.76 INSR (0.48) KMT2AMEN1ADRA1DADRA1AADRA1B
SCHEMBL519653 0.76 INSR (0.48) KMT2AMEN1ADRA1DADRA1AADRA1B
SCHEMBL25260697 0.75 TMEM97 (0.49) TMEM97SIGMAR1HRH1HRH3HTR1A
SCHEMBL2207628 0.75 GAA (0.47) KMT2AMEN1ALDH1A1ADRA1DADRA1A
SCHEMBL12312324 0.74 GFER (0.53) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL520282 0.73 ADRA2A (0.53) KMT2AMEN1MAPTMAPK1ADRA2A
SCHEMBL520281 0.73 ADRA2A (0.53) KMT2AMEN1MAPTMAPK1ADRA2A
SCHEMBL520934 0.73 ADRA2A (0.53) KMT2AMEN1MAPTMAPK1ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7371753-B2 Dihydropteridinones, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-13 US disclosed
US-20060046990-A1 New dihydropteridinones, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-03-02 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-20060046990-A1 New dihydropteridinones, processes for preparing them and their use as pharmaceutical compositions QDPR, DHPS, CCND2 AAK1 3186/4885CTSL 1992/4885CTSB 2712/4885

“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.