SCHEMBL3522370

SCHEMBL3522370

COC(=O)c1nccn2ccnc12

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.47
NPSR1 Q6W5P4 1/20 0.43
KDM4E B2RXH2 7/20 0.40
ALDH1A1 P00352 5/20 0.40
NUDT1 P36639 1/20 0.39
HCRTR2 O43614 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
HSD17B10 Q99714 1/20 0.38
GAA P10253 2/20 0.36
JMJD6 Q6NYC1 1/20 0.36
RAB9A P51151 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.35
GLA P06280 1/20 0.35
HTT P42858 1/20 0.35
MAPT P10636 1/20 0.35
STING1 Q86WV6 1/20 0.35

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
SCHEMBL22835691 0.80 L3MBTL1 (0.46) L3MBTL1NPSR1KDM4EALDH1A1GAA
SCHEMBL30521411 0.79 HTR2C (0.42) L3MBTL1NPSR1KDM4EALDH1A1SMN1; SMN2
SCHEMBL14074684 0.79 NUDT1 (0.43) L3MBTL1ALDH1A1NUDT1HCRTR2
SCHEMBL30521156 0.77 NPSR1 (0.37) L3MBTL1NPSR1KDM4EALDH1A1SMN1; SMN2
SCHEMBL3528247 0.76 NUDT1 (0.45) L3MBTL1NPSR1KDM4EALDH1A1NUDT1
SCHEMBL1878367 0.76 KDM4E (0.49) NPSR1KDM4EALDH1A1HCRTR2HSD17B10
SCHEMBL30521261 0.76 NPSR1 (0.36) L3MBTL1NPSR1KDM4EALDH1A1SMN1; SMN2
SCHEMBL71518 0.75 NPSR1 (0.59) L3MBTL1NPSR1KDM4EALDH1A1SMN1; SMN2
SCHEMBL16446060 0.75 NUDT1 (0.48) L3MBTL1ALDH1A1NUDT1HCRTR2KMT2A
SCHEMBL14848241 0.74 IRAK4 (0.39) NPSR1KDM4EALDH1A1HCRTR2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7709468-B2 Imidazo based heterocycles ABBOTT LABORATORIES (US) 2010-05-04 US disclosed
EP-2099803-A1 HETEROBICYCLIC MATRIX METALLOPROTEASE INHIBITORS Alantos Pharmaceuticals Holding, Inc. (US) 2009-09-16 EP disclosed
US-20080221092-A1 Heterobicyclic metalloprotease inhibitors BLUHM HARALD 2008-09-11 US disclosed
US-20080221092-A1 Heterobicyclic metalloprotease inhibitors BLUHM HARALD 2008-09-11 US disclosed
US-20080221092-A1 Heterobicyclic metalloprotease inhibitors BLUHM HARALD 2008-09-11 US disclosed
WO-2008063669-A1 HETEROBICYCLIC MATRIX METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2008-05-29 WO disclosed
WO-2008063669-A1 HETEROBICYCLIC MATRIX METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2008-05-29 WO disclosed
US-20070099925-A1 Novel imidazo based heterocycles ABBVIE INC. 2007-05-03 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 (2 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-20070099925-A1 Novel imidazo based heterocycles CDK4, CDK2, MAP3K19 L3MBTL1 4133/4885NPSR1 3834/4885KDM4E 1894/4885
US-20080221092-A1 Heterobicyclic metalloprotease inhibitors MMP13, MMP3, TIMP3 L3MBTL1 4501/4885NPSR1 2187/4885KDM4E 2290/4885

“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.