SCHEMBL1719291

SCHEMBL1719291

Cn1ccnc1Sc1nccnc1C#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 1/20 0.37
KMT2A Q03164 4/20 0.36
MEN1 O00255 2/20 0.36
HSD17B10 Q99714 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
POLB P06746 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
LMNA P02545 1/20 0.35
IGF1R P08069 1/20 0.34
MAP2K1 Q02750 1/20 0.34

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
SCHEMBL1719414 0.78 POLB (0.39) KMT2AMEN1HSD17B10KDM4EHPGD
SCHEMBL6992442 0.75 KMT2A (0.41) NPSR1KMT2AMEN1HSD17B10KDM4E
SCHEMBL1719664 0.72 ALDH1A1 (0.32) ALDH1A1
SCHEMBL6466595 0.70
SCHEMBL13751528 0.69 TSHR (0.40) GAANPSR1KMT2AMEN1HSD17B10
SCHEMBL2956715 0.67 L3MBTL1 (0.40) GAANPSR1KMT2AMEN1HSD17B10
SCHEMBL1719424 0.67 ICAM1 (0.40) GAAHSD17B10ALDH1A1L3MBTL1POLB
SCHEMBL8938457 0.66 LPO (0.48) NPSR1KMT2AMEN1HSD17B10KDM4E
SCHEMBL2661651 0.66 GAA (0.41) GAANPSR1KMT2AALDH1A1L3MBTL1
SCHEMBL9698982 0.66 GAA (0.50) GAAKMT2AMEN1HSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130273024-A1 METHODS FOR TREATING ATHEROSCLEROSIS AMGEN INC (US) 2013-10-17 US claimed
EP-2452683-A2 Methods for treating atherosclerosis Amgen Inc. (US) 2012-05-16 EP claimed
EP-2037928-B1 METHODS FOR TREATING ATHEROSCLEROSIS AMGEN INC (US) 2012-01-11 EP claimed
EP-2037928-A2 METHODS FOR TREATING ATHEROSCLEROSIS Amgen Inc. (US) 2009-03-25 EP claimed
US-20080096900-A1 Methods for treating atherosclerosis AMGEN INC. (US) 2008-04-24 US claimed
WO-2008002591-A2 METHODS FOR TREATING ATHEROSCLEROSIS AMGEN INC (US) 2008-01-03 WO claimed
US-20130273024-A1 METHODS FOR TREATING ATHEROSCLEROSIS AMGEN INC (US) 2013-10-17 US disclosed
US-8426358-B2 Methods for treating atherosclerosis AMGEN INC. (US) 2013-04-23 US disclosed
US-8426358-B2 Methods for treating atherosclerosis AMGEN INC. (US) 2013-04-23 US disclosed
US-8426358-B2 Methods for treating atherosclerosis AMGEN INC. (US) 2013-04-23 US disclosed
EP-2452683-A2 Methods for treating atherosclerosis Amgen Inc. (US) 2012-05-16 EP disclosed
EP-2037928-B1 METHODS FOR TREATING ATHEROSCLEROSIS AMGEN INC (US) 2012-01-11 EP disclosed
US-20110206652-A1 METHODS FOR TREATING ATHEROSCLEROSIS AMGEN INC. (US) 2011-08-25 US disclosed
US-20110206652-A1 METHODS FOR TREATING ATHEROSCLEROSIS AMGEN INC. (US) 2011-08-25 US disclosed
US-20110206652-A1 METHODS FOR TREATING ATHEROSCLEROSIS AMGEN INC. (US) 2011-08-25 US disclosed
EP-2037928-A2 METHODS FOR TREATING ATHEROSCLEROSIS Amgen Inc. (US) 2009-03-25 EP disclosed
US-20080096900-A1 Methods for treating atherosclerosis AMGEN INC. (US) 2008-04-24 US disclosed
US-20080096900-A1 Methods for treating atherosclerosis AMGEN INC. (US) 2008-04-24 US disclosed
US-20080096900-A1 Methods for treating atherosclerosis AMGEN INC. (US) 2008-04-24 US disclosed
WO-2008002591-A2 METHODS FOR TREATING ATHEROSCLEROSIS AMGEN INC (US) 2008-01-03 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-20130273024-A1 METHODS FOR TREATING ATHEROSCLEROSIS LCAT, PCSK9, CETP GAA 516/4885NPSR1 1282/4885KMT2A 2382/4885
US-20080096900-A1 Methods for treating atherosclerosis LCAT, PCSK9, CETP GAA 516/4885NPSR1 1282/4885KMT2A 2382/4885
US-20110206652-A1 METHODS FOR TREATING ATHEROSCLEROSIS LCAT, PCSK9, CETP GAA 516/4885NPSR1 1282/4885KMT2A 2382/4885

“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.