SCHEMBL3510910

SCHEMBL3510910

Cn1cc(Br)cc1C(=O)NC(CNC(=O)O)Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 1/20 0.40
HPGD P15428 1/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
ATM Q13315 1/20 0.37
MME P08473 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPK1 P28482 1/20 0.36
CTSL P07711 4/20 0.36
PIN1 Q13526 1/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
PTPN7 P35236 1/20 0.36
RECQL P46063 1/20 0.36
BLM P54132 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL12679253 0.87 ATM (0.51) ATMCYP3A4CTSLAKT1
SCHEMBL3510049 0.82 KMT2A (0.41) CTRB1HPGDKMT2AMEN1ATM
SCHEMBL3507412 0.81 CTRB1 (0.41) CTRB1HPGDKMT2AMEN1ATM
SCHEMBL1529784 0.80 CTRB1 (0.36) CTRB1HPGDKMT2AMEN1ATM
SCHEMBL3506437 0.75 ALDH1A1 (0.48) CTRB1MMEMAPK1CTSLPIN1
SCHEMBL3511843 0.75 ALDH1A1 (0.48) CTRB1MMEMAPK1CTSLPIN1
SCHEMBL3506435 0.75 ALDH1A1 (0.48) CTRB1MMEMAPK1CTSLPIN1
SCHEMBL3509337 0.74 AKT1 (0.48) CTRB1KMT2AMEN1MMEPIN1
SCHEMBL11884009 0.74 CTRB1 (0.49) CTRB1ATMMMECYP3A4MAPK1
SCHEMBL3507223 0.73 CTRB1 (0.42) CTRB1HPGDATMMMEMAPK1

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-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
US-20090209607-A1 INHIBITORS OF AKT ACTIVITY NOVARTIS AG (CH) 2009-08-20 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 (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 CTRB1 2908/4885HPGD 3002/4885KMT2A 882/4885
US-20130231378-A1 INHIBITORS OF AkT ACTIVITY AKT2, AKT1, AKT3 CTRB1 2908/4885HPGD 3002/4885KMT2A 882/4885
US-20090209607-A1 INHIBITORS OF AKT ACTIVITY AKT2, AKT1, AKT3 CTRB1 2908/4885HPGD 3002/4885KMT2A 882/4885
US-20160287561-A1 Inhibitors of AKT Activity AKT2, AKT1, AKT3 CTRB1 2908/4885HPGD 3002/4885KMT2A 882/4885
US-20100041726-A1 INHIBITORS OF Akt ACTIVITY AKT2, AKT1, AKT3 CTRB1 2908/4885HPGD 3002/4885KMT2A 882/4885

“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.