SCHEMBL3510049

SCHEMBL3510049

Cn1c(C(=O)NC(CNC(=O)O)Cc2ccccc2)cc(Br)c1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
CTRB1 P17538 1/20 0.40
PIN1 Q13526 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HPGD P15428 3/20 0.37
AKT1 P31749 3/20 0.37
ALDH1A1 P00352 2/20 0.37
ATM Q13315 1/20 0.37
CYP3A4 P08684 1/20 0.36
MAPK1 P28482 1/20 0.36
CTSL P07711 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL12679251 0.87 ATM (0.51) KMT2AAKT1ATMCTSL
SCHEMBL3507412 0.84 CTRB1 (0.41) KMT2AMEN1CTRB1PIN1HPGD
SCHEMBL3510910 0.82 CTRB1 (0.40) KMT2AMEN1CTRB1PIN1L3MBTL1
SCHEMBL1529799 0.80 KMT2A (0.38) KMT2AMEN1CTRB1PIN1L3MBTL1
SCHEMBL4543936 0.77 KMT2A (0.41) KMT2AMEN1CTRB1L3MBTL1KDM4E
SCHEMBL3509337 0.77 AKT1 (0.48) KMT2AMEN1CTRB1PIN1L3MBTL1
SCHEMBL3509771 0.75 CTRB1 (0.42) KMT2AMEN1CTRB1PIN1HPGD
SCHEMBL11884009 0.74 CTRB1 (0.49) CTRB1ATMCYP3A4MAPK1RAB9A
SCHEMBL3506437 0.73 ALDH1A1 (0.48) CTRB1PIN1AKT1ALDH1A1MAPK1
SCHEMBL3507223 0.73 CTRB1 (0.42) CTRB1PIN1HPGDAKT1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160287561-A1 Inhibitors of AKT Activity NOVARTIS AG (CH) 2016-10-06 US disclosed
US-8946278-B2 Inhibitors of AkT activity GLAXOSMITHKLINE LLC (US) 2015-02-03 US disclosed
US-20130231378-A1 INHIBITORS OF AkT ACTIVITY GLAXOSMITHKLINE LLC (US) 2013-09-05 US disclosed
US-8410158-B2 Inhibitors of Akt activity GLAXOSMITHKLINE LLC (US) 2013-04-02 US disclosed
US-8273782-B2 Inhibitors of Akt activity GLAXOSMITHKLINE LLC (US) 2012-09-25 US disclosed
US-20100267759-A1 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2010-10-21 US disclosed
US-20100041726-A1 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION 2010-02-18 US disclosed
EP-2117523-A1 INHIBITORS OF AKT ACTIVITY SmithKline Beecham Corporation (US) 2009-11-18 EP disclosed
US-20090209607-A1 INHIBITORS OF AKT ACTIVITY NOVARTIS AG (CH) 2009-08-20 US disclosed
WO-2008098104-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2008-08-14 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 (5 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-20100267759-A1 INHIBITORS OF Akt ACTIVITY AKT2, AKT1, AKT3 KMT2A 882/4885MEN1 3109/4885CTRB1 2908/4885
US-20130231378-A1 INHIBITORS OF AkT ACTIVITY AKT2, AKT1, AKT3 KMT2A 882/4885MEN1 3109/4885CTRB1 2908/4885
US-20090209607-A1 INHIBITORS OF AKT ACTIVITY AKT2, AKT1, AKT3 KMT2A 882/4885MEN1 3109/4885CTRB1 2908/4885
US-20160287561-A1 Inhibitors of AKT Activity AKT2, AKT1, AKT3 KMT2A 882/4885MEN1 3109/4885CTRB1 2908/4885
US-20100041726-A1 INHIBITORS OF Akt ACTIVITY AKT2, AKT1, AKT3 KMT2A 882/4885MEN1 3109/4885CTRB1 2908/4885

“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.