SCHEMBL6206098

SCHEMBL6206098

N=C(N)NCCCN1CCOCC1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.66
HPGD P15428 1/20 0.64
DUSP3 P51452 1/20 0.64
LMNA P02545 2/20 0.59
KDM4E B2RXH2 2/20 0.59
ALDH1A1 P00352 3/20 0.53
MAPK1 P28482 1/20 0.53
HIF1A Q16665 1/20 0.53
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
KEAP1 Q14145 1/20 0.50
EPHX1 P07099 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TSHR P16473 2/20 0.48
EPHX2 P34913 1/20 0.47
POLB P06746 1/20 0.47

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
Sulfuric Acid SCHEMBL5471375 0.92 GAA (0.61) GAAHPGDDUSP3LMNAKDM4E
SCHEMBL8337347 0.89 CA12 (0.56) GAAHPGDDUSP3LMNAKDM4E
Sulfuric Acid SCHEMBL11729680 0.89 GAA (0.57) GAAHPGDDUSP3LMNAKDM4E
Hydrochloric Acid SCHEMBL28128906 0.87 CA12 (0.54) GAAHPGDDUSP3LMNAKDM4E
SCHEMBL2804470 0.83 ALDH1A1 (0.48) GAAHPGDDUSP3KDM4EALDH1A1
SCHEMBL9861586 0.83 LMNA (0.65) GAAHPGDDUSP3LMNAKDM4E
SCHEMBL3903156 0.82 GAA (0.76) GAAHPGDDUSP3LMNAKDM4E
SCHEMBL1640547 0.82 HPGD (0.74) GAAHPGDDUSP3LMNAKDM4E
SCHEMBL2804989 0.81 ALDH1A1 (0.52) GAAALDH1A1SMN1; SMN2L3MBTL1TSHR
Hydrochloric Acid SCHEMBL6339465 0.81 ALDH1A1 (0.47) GAAHPGDDUSP3LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1799684-B1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS MILLENNIUM PHARM INC (US) 2014-12-03 EP disclosed
US-20120178739-A1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-07-12 US disclosed
US-20120178739-A1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-07-12 US disclosed
US-20110039820-A1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-17 US disclosed
US-20110039820-A1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-17 US disclosed
US-20090105213-A1 Lactam compounds useful as protein kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-04-23 US disclosed
US-20090105213-A1 Lactam compounds useful as protein kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-04-23 US disclosed
US-7459448-B2 Lactam compounds useful as protein kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-12-02 US disclosed
US-7459448-B2 Lactam compounds useful as protein kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-12-02 US disclosed
EP-1551842-A1 PYRADAZINE COMPOUNDS AS GSK-3 INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-07-13 EP disclosed
EP-1463730-A1 PYRAZOLOPARIDAZINE DERIVATIVES SmithKline Beecham Corporation (US) 2004-10-06 EP disclosed
WO-2004035588-A1 PYRADAZINE COMPOUNDS AS GSK-3 INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-04-29 WO disclosed
WO-2003051886-A1 PYRAZOLOPYRIDAZINE DERIVATIVES SMITHKLINE BEECHAM CORPORATION (US) 2003-06-26 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 (3 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-20120178739-A1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS PRKCI, PIK3CA, AKT1 GAA 974/4885HPGD 2441/4885DUSP3 342/4885
US-20090105213-A1 Lactam compounds useful as protein kinase inhibitors PRKCI, PIK3CA, AKT1 GAA 974/4885HPGD 2441/4885DUSP3 342/4885
US-20110039820-A1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS PRKCI, PIK3CA, AKT1 GAA 974/4885HPGD 2441/4885DUSP3 342/4885

“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.